 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer001_STD_wB97XD_def2SVPD.in
 Output=08_d-glucose_conformer001_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-7592.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7596.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer001_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer001_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.639995000000      1.210425000000     -0.197110000000
  C                                                -1.660478000000      0.161160000000      0.197504000000
  C                                                 0.736747000000      0.795510000000      0.286144000000
  C                                                 1.079369000000     -0.604203000000     -0.228054000000
  O                                                 0.067145000000     -1.517619000000      0.198419000000
  C                                                -1.216562000000     -1.213556000000     -0.304644000000
  O                                                -0.922508000000      2.483202000000      0.369953000000
  H                                                -0.621099000000      1.285662000000     -1.292336000000
  O                                                -2.907145000000      0.541846000000     -0.359981000000
  H                                                -1.721531000000      0.118750000000      1.294206000000
  H                                                 0.727111000000      0.765851000000      1.383318000000
  O                                                 1.732438000000      1.706543000000     -0.165282000000
  C                                                 2.410891000000     -1.123511000000      0.302675000000
  H                                                 1.126892000000     -0.582940000000     -1.324712000000
  O                                                -2.103572000000     -2.214928000000      0.095778000000
  H                                                -1.218810000000     -1.228110000000     -1.401446000000
  H                                                -1.811275000000      2.739925000000      0.096905000000
  H                                                -3.533704000000     -0.176051000000     -0.206287000000
  H                                                 1.430942000000      2.597378000000      0.052923000000
  O                                                 3.515463000000     -0.471377000000     -0.290315000000
  H                                                 2.491301000000     -2.182395000000      0.056578000000
  H                                                 2.421925000000     -1.030336000000      1.397090000000
  H                                                -1.970048000000     -2.365618000000      1.041455000000
  H                                                 3.363901000000      0.481596000000     -0.225378000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922508    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541846   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123511    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811275    2.739925    0.096905
     18          1           0       -3.533704   -0.176051   -0.206287
     19          1           0        1.430942    2.597378    0.052923
     20          8           0        3.515463   -0.471377   -0.290315
     21          1           0        2.491301   -2.182395    0.056578
     22          1           0        2.421925   -1.030336    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481596   -0.225378
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515936   0.000000
     3  C    1.516940   2.481319   0.000000
     4  C    2.500009   2.876394   1.530028   0.000000
     5  O    2.845824   2.408938   2.409695   1.428568   0.000000
     6  C    2.493928   1.529398   2.863703   2.376652   1.411889
     7  O    1.421737   2.442584   2.368218   3.727894   4.124973
     8  H    1.097970   2.136454   2.139064   2.756062   3.248756
     9  O    2.369281   1.417706   3.709417   4.150076   3.660547
    10  H    2.141378   1.099219   2.741774   3.268788   2.660416
    11  H    2.136440   2.733567   1.097617   2.144214   2.655895
    12  O    2.423960   3.745891   1.423084   2.402080   3.647012
    13  C    3.873622   4.270537   2.546698   1.524567   2.378936
    14  H    2.758538   3.261941   2.155735   1.097893   2.077647
    15  O    3.736427   2.419189   4.143234   3.581957   2.282277
    16  H    2.780630   2.163743   3.281341   2.654757   2.072936
    17  H    1.948772   2.585128   3.210760   4.432224   4.654616
    18  H    3.208731   1.945696   4.407173   4.632951   3.863898
    19  H    2.504982   3.938647   1.945001   3.233059   4.337547
    20  O    4.483857   5.237216   3.107824   2.440507   3.636534
    21  H    4.623916   4.769631   3.463969   2.136646   2.517653
    22  H    4.115560   4.418674   2.721716   2.150614   2.686865
    23  H    4.011380   2.681920   4.229653   3.743418   2.362195
    24  H    4.069788   5.052316   2.694835   2.529437   3.878797
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.769293   0.000000
     8  H    2.752490   2.070786   0.000000
     9  O    2.437739   2.870619   2.578479   0.000000
    10  H    2.141578   2.661450   3.043490   2.078708   0.000000
    11  H    3.247327   2.587942   3.040888   4.036965   2.534271
    12  O    4.152469   2.817519   2.643204   4.787500   4.071989
    13  C    3.679043   4.911665   4.188214   5.611955   4.427557
    14  H    2.632488   4.058714   2.558944   4.297593   3.932507
    15  O    1.396378   4.852062   4.047063   2.907447   2.651082
    16  H    1.096901   4.123043   2.586158   2.658546   3.055045
    17  H    4.018076   0.964556   2.336962   2.498245   2.883079
    18  H    2.540716   3.771210   3.435022   0.965181   2.371151
    19  H    4.654068   2.377451   2.782300   4.818164   4.197912
    20  O    4.789895   5.372251   4.604604   6.502412   5.503187
    21  H    3.849335   5.789654   4.851188   6.061207   4.957312
    22  H    4.020952   4.958346   4.675131   5.827353   4.301071
    23  H    1.925349   5.005928   4.538512   3.360881   2.509527
    24  H    4.884717   4.768034   4.202993   6.272780   5.320001
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.072136   0.000000
    13  C    2.751835   2.947624   0.000000
    14  H    3.051637   2.636797   2.142256   0.000000
    15  O    4.307618   5.491909   4.649126   3.888068   0.000000
    16  H    3.939213   4.341676   4.011197   2.434019   1.999573
    17  H    3.463413   3.700611   5.726706   4.657816   4.963467
    18  H    4.644197   5.592682   6.041104   4.810155   2.508693
    19  H    2.370616   0.965453   3.855865   3.479188   5.971006
    20  O    3.479467   2.817472   1.413151   2.605320   5.895981
    21  H    3.683037   3.968493   1.090076   2.515518   4.595155
    22  H    2.469589   3.225974   1.098430   3.047209   4.855594
    23  H    4.147003   5.634458   4.613161   4.285758   0.966872
    24  H    3.101833   2.041024   1.939958   2.710347   6.104723
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282683   0.000000
    18  H    2.809621   3.400236   0.000000
    19  H    4.875524   3.245647   5.692698   0.000000
    20  O    4.921443   6.231897   7.055851   3.725627   0.000000
    21  H    4.098953   6.537815   6.355722   4.895978   2.024062
    22  H    4.596289   5.815955   6.226567   3.993638   2.087007
    23  H    2.797508   5.194608   2.965819   6.097152   5.954208
    24  H    5.030653   5.655649   6.928912   2.879291   0.967133
                   21         22         23         24
    21  H    0.000000
    22  H    1.768905   0.000000
    23  H    4.572438   4.604224   0.000000
    24  H    2.817406   2.409494   6.177581   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.639995    1.210425   -0.197110
      2          6           0       -1.660478    0.161160    0.197504
      3          6           0        0.736747    0.795510    0.286144
      4          6           0        1.079369   -0.604203   -0.228054
      5          8           0        0.067145   -1.517619    0.198419
      6          6           0       -1.216562   -1.213556   -0.304644
      7          8           0       -0.922509    2.483202    0.369953
      8          1           0       -0.621099    1.285662   -1.292336
      9          8           0       -2.907145    0.541845   -0.359981
     10          1           0       -1.721531    0.118750    1.294206
     11          1           0        0.727111    0.765851    1.383318
     12          8           0        1.732438    1.706543   -0.165282
     13          6           0        2.410891   -1.123510    0.302675
     14          1           0        1.126892   -0.582940   -1.324712
     15          8           0       -2.103572   -2.214928    0.095778
     16          1           0       -1.218810   -1.228110   -1.401446
     17          1           0       -1.811276    2.739925    0.096905
     18          1           0       -3.533704   -0.176052   -0.206287
     19          1           0        1.430941    2.597378    0.052923
     20          8           0        3.515463   -0.471376   -0.290315
     21          1           0        2.491301   -2.182394    0.056578
     22          1           0        2.421925   -1.030335    1.397090
     23          1           0       -1.970048   -2.365618    1.041455
     24          1           0        3.363901    0.481597   -0.225378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3109432           0.7353740           0.4929629
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       827.8206295350 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0166787712 Hartrees.
 Nuclear repulsion after empirical dispersion term =      827.8039507638 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.65D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer001_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.520193304874    
 DIIS: error= 3.03D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.520193304874     IErMin= 1 ErrMin= 3.03D-03
 ErrMax= 3.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-02 BMatP= 2.29D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.03D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 GapD=    0.444 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.00D-03 MaxDP=2.05D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.00D-03    CP:  1.01D+00
 E= -686.538541936072     Delta-E=       -0.018348631198 Rises=F Damp=F
 DIIS: error= 8.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.538541936072     IErMin= 2 ErrMin= 8.94D-04
 ErrMax= 8.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 2.29D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.94D-03
 Coeff-Com:  0.399D-01 0.960D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.395D-01 0.960D+00
 Gap=     0.429 Goal=   None    Shift=    0.000
 RMSDP=6.87D-04 MaxDP=2.79D-02 DE=-1.83D-02 OVMax= 7.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.84D-04    CP:  1.01D+00  1.10D+00
 E= -686.539216046922     Delta-E=       -0.000674110851 Rises=F Damp=F
 DIIS: error= 7.97D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.539216046922     IErMin= 3 ErrMin= 7.97D-04
 ErrMax= 7.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.97D-03
 Coeff-Com: -0.505D-01 0.484D+00 0.566D+00
 Coeff-En:   0.000D+00 0.253D+00 0.747D+00
 Coeff:     -0.501D-01 0.483D+00 0.568D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=1.78D-04 MaxDP=9.46D-03 DE=-6.74D-04 OVMax= 3.21D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.30D-04    CP:  1.01D+00  1.12D+00  1.08D+00
 E= -686.539941840029     Delta-E=       -0.000725793107 Rises=F Damp=F
 DIIS: error= 9.06D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.539941840029     IErMin= 4 ErrMin= 9.06D-05
 ErrMax= 9.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-05 BMatP= 1.07D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.160D-01 0.917D-01 0.150D+00 0.774D+00
 Coeff:     -0.160D-01 0.917D-01 0.150D+00 0.774D+00
 Gap=     0.423 Goal=   None    Shift=    0.000
 RMSDP=7.07D-05 MaxDP=2.70D-03 DE=-7.26D-04 OVMax= 7.51D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.72D-05    CP:  1.01D+00  1.12D+00  1.17D+00  1.08D+00
 E= -686.539959903780     Delta-E=       -0.000018063751 Rises=F Damp=F
 DIIS: error= 4.39D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.539959903780     IErMin= 5 ErrMin= 4.39D-05
 ErrMax= 4.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-06 BMatP= 1.74D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.329D-02-0.499D-01-0.501D-01 0.269D+00 0.828D+00
 Coeff:      0.329D-02-0.499D-01-0.501D-01 0.269D+00 0.828D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=2.95D-05 MaxDP=1.18D-03 DE=-1.81D-05 OVMax= 4.38D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.79D-05    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  9.87D-01
 E= -686.539963993202     Delta-E=       -0.000004089422 Rises=F Damp=F
 DIIS: error= 5.97D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.539963993202     IErMin= 6 ErrMin= 5.97D-06
 ErrMax= 5.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-08 BMatP= 3.21D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.903D-03-0.952D-02-0.102D-01 0.133D-01 0.118D+00 0.887D+00
 Coeff:      0.903D-03-0.952D-02-0.102D-01 0.133D-01 0.118D+00 0.887D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=5.09D-06 MaxDP=2.80D-04 DE=-4.09D-06 OVMax= 1.00D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.25D-06    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.03D+00
                    CP:  1.11D+00
 E= -686.539964098892     Delta-E=       -0.000000105691 Rises=F Damp=F
 DIIS: error= 3.69D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.539964098892     IErMin= 7 ErrMin= 3.69D-06
 ErrMax= 3.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-08 BMatP= 6.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.581D-04 0.291D-02 0.289D-02-0.344D-01-0.668D-01 0.389D+00
 Coeff-Com:  0.706D+00
 Coeff:     -0.581D-04 0.291D-02 0.289D-02-0.344D-01-0.668D-01 0.389D+00
 Coeff:      0.706D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=1.14D-04 DE=-1.06D-07 OVMax= 3.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.87D-07    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.04D+00
                    CP:  1.17D+00  1.11D+00
 E= -686.539964126131     Delta-E=       -0.000000027238 Rises=F Damp=F
 DIIS: error= 1.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.539964126131     IErMin= 8 ErrMin= 1.01D-06
 ErrMax= 1.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-09 BMatP= 2.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-03 0.205D-02 0.217D-02-0.141D-01-0.358D-01 0.429D-01
 Coeff-Com:  0.234D+00 0.769D+00
 Coeff:     -0.117D-03 0.205D-02 0.217D-02-0.141D-01-0.358D-01 0.429D-01
 Coeff:      0.234D+00 0.769D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=5.33D-07 MaxDP=2.47D-05 DE=-2.72D-08 OVMax= 1.32D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.13D-07    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.04D+00
                    CP:  1.19D+00  1.17D+00  1.18D+00
 E= -686.539964127945     Delta-E=       -0.000000001815 Rises=F Damp=F
 DIIS: error= 2.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.539964127945     IErMin= 9 ErrMin= 2.32D-07
 ErrMax= 2.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-10 BMatP= 1.64D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.322D-04 0.427D-03 0.467D-03-0.187D-02-0.591D-02-0.186D-01
 Coeff-Com:  0.151D-01 0.258D+00 0.752D+00
 Coeff:     -0.322D-04 0.427D-03 0.467D-03-0.187D-02-0.591D-02-0.186D-01
 Coeff:      0.151D-01 0.258D+00 0.752D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=1.71D-07 MaxDP=6.86D-06 DE=-1.81D-09 OVMax= 3.68D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.76D-08    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.04D+00
                    CP:  1.19D+00  1.19D+00  1.26D+00  1.07D+00
 E= -686.539964128087     Delta-E=       -0.000000000142 Rises=F Damp=F
 DIIS: error= 6.92D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.539964128087     IErMin=10 ErrMin= 6.92D-08
 ErrMax= 6.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-11 BMatP= 1.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-05-0.775D-04-0.818D-04 0.883D-03 0.198D-02-0.934D-02
 Coeff-Com: -0.196D-01-0.765D-02 0.208D+00 0.826D+00
 Coeff:      0.170D-05-0.775D-04-0.818D-04 0.883D-03 0.198D-02-0.934D-02
 Coeff:     -0.196D-01-0.765D-02 0.208D+00 0.826D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=6.51D-08 MaxDP=2.99D-06 DE=-1.42D-10 OVMax= 1.27D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.29D-08    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.04D+00
                    CP:  1.18D+00  1.20D+00  1.29D+00  1.13D+00  1.10D+00
 E= -686.539964128137     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.539964128137     IErMin=11 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-12 BMatP= 1.13D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.322D-05-0.654D-04-0.723D-04 0.521D-03 0.131D-02-0.279D-02
 Coeff-Com: -0.935D-02-0.200D-01 0.377D-01 0.338D+00 0.655D+00
 Coeff:      0.322D-05-0.654D-04-0.723D-04 0.521D-03 0.131D-02-0.279D-02
 Coeff:     -0.935D-02-0.200D-01 0.377D-01 0.338D+00 0.655D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=1.49D-08 MaxDP=4.85D-07 DE=-5.00D-11 OVMax= 3.42D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.75D-09    CP:  1.01D+00  1.12D+00  1.22D+00  1.16D+00  1.04D+00
                    CP:  1.18D+00  1.20D+00  1.29D+00  1.14D+00  1.17D+00
                    CP:  1.15D+00
 E= -686.539964128156     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 9.60D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -686.539964128156     IErMin=12 ErrMin= 9.60D-09
 ErrMax= 9.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-13 BMatP= 1.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.666D-06-0.745D-05-0.964D-05 0.203D-04 0.880D-04 0.591D-03
 Coeff-Com:  0.359D-03-0.481D-02-0.237D-01-0.355D-01 0.231D+00 0.832D+00
 Coeff:      0.666D-06-0.745D-05-0.964D-05 0.203D-04 0.880D-04 0.591D-03
 Coeff:      0.359D-03-0.481D-02-0.237D-01-0.355D-01 0.231D+00 0.832D+00
 Gap=     0.424 Goal=   None    Shift=    0.000
 RMSDP=7.28D-09 MaxDP=3.19D-07 DE=-1.86D-11 OVMax= 1.99D-07

 SCF Done:  E(RwB97XD) =  -686.539964128     A.U. after   12 cycles
            NFock= 12  Conv=0.73D-08     -V/T= 2.0095
 KE= 6.800668041488D+02 PE=-3.263623037817D+03 EE= 1.069212318777D+03
 Leave Link  502 at Fri Aug 13 10:51:16 2021, MaxMem=  5368709120 cpu:            1962.0 elap:             245.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.38992688D+02

 Leave Link  801 at Fri Aug 13 10:51:17 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.82D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.49D-01 5.64D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 3.07D-02 2.52D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.51D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 3.48D-04 3.84D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 2.24D-05 7.62D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 7.77D-07 1.11D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 2.64D-08 1.81D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 8.00D-10 2.45D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 2.56D-11 4.92D-07.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 4.89D-13 7.24D-08.
      2 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 1.53D-14 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110796D+03
      2  0.104871D+01  0.997539D+02
      3 -0.297313D+00 -0.162117D+01  0.834021D+02
 Isotropic polarizability for W=    0.088559       97.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.272788D+02 -0.119595D+02 -0.168164D+02
      2  -0.225618D+02  0.134172D+02  0.113288D+02
      3  -0.471703D+01 -0.145769D+01  0.548752D+01
      4  -0.192929D+02 -0.729919D+01 -0.906172D+00
      5  -0.787507D+01 -0.236575D+01  0.722066D+01
      6  -0.234155D+00  0.131267D+02 -0.117203D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.170311D+01 -0.445160D+01  0.637098D+01
      2  -0.363280D+01  0.117157D+00  0.439014D+01
      3  -0.595358D+01 -0.108188D+02  0.123309D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.145958D+01  0.179788D+01  0.102626D+02
      2  -0.894130D+01 -0.672017D+00  0.119377D+02
      3  -0.733347D+01 -0.152626D+02  0.213160D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.310229D+00  0.112817D+01  0.261798D+00
      2   0.112817D+01 -0.403016D+00  0.119155D+01
      3   0.261798D+00  0.119155D+01 -0.260079D+00
 OR G Eigenvalues:    -1.7646    -0.2264     1.6381  Iso=     0.1176
 Eigenvectors:
   (1)  -0.346574   0.763752  -0.544581
   (2)   0.702125  -0.173760  -0.690527
   (3)   0.622018   0.621683   0.476029
 w=    0.088559 a.u., Optical Rotation Beta=      0.1176 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       33.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.28D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.16D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 9.96D-02 2.64D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 3.71D-03 6.61D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 6.57D-05 8.93D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 1.57D-06 1.11D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 2.13D-08 1.25D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 2.03D-10 1.27D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.61D-12 1.47D-07.
     15 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 1.49D-14 1.00D-08.
      5 vectors produced by pass  9 Test12= 4.08D-14 2.78D-09 XBig12= 9.75D-15 5.41D-09.
      4 vectors produced by pass 10 Test12= 4.08D-14 2.78D-09 XBig12= 8.61D-15 4.98D-09.
      3 vectors produced by pass 11 Test12= 4.08D-14 2.78D-09 XBig12= 6.94D-15 4.46D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   267 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.23D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.23D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.37D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110796D+03  0.104871D+01 -0.297313D+00
      2   0.104871D+01  0.997539D+02 -0.162117D+01
      3  -0.297313D+00 -0.162117D+01  0.834021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.170311D+01 -0.445160D+01  0.637098D+01
      2  -0.363280D+01  0.117157D+00  0.439014D+01
      3  -0.595358D+01 -0.108188D+02  0.123309D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.272788D+02 -0.119595D+02 -0.168164D+02
      2  -0.225618D+02  0.134172D+02  0.113288D+02
      3  -0.471703D+01 -0.145769D+01  0.548752D+01
      4  -0.192929D+02 -0.729919D+01 -0.906172D+00
      5  -0.787507D+01 -0.236575D+01  0.722066D+01
      6  -0.234155D+00  0.131267D+02 -0.117203D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264004D+01  0.202813D+01 -0.731736D+00  0.128891D+01  0.207427D+01
      2   0.202813D+01  0.198756D+01  0.147143D+00  0.207427D+01 -0.339387D+01
      3  -0.731736D+00  0.147143D+00 -0.439639D+00  0.250866D+00 -0.113250D+01
                 6             7             8             9            10 
      1   0.250866D+00 -0.968521D+00  0.513277D+00 -0.446045D+00  0.297405D+01
      2  -0.113250D+01  0.513277D+00 -0.194259D+01 -0.587892D+00 -0.166937D+01
      3   0.370505D+00 -0.446045D+00 -0.587892D+00  0.773828D+01  0.107735D+01
                11            12            13            14            15 
      1  -0.166937D+01  0.107735D+01 -0.246337D+01 -0.208823D+01 -0.490181D+00
      2  -0.129729D+01 -0.229628D+00 -0.208823D+01  0.166282D+01  0.737386D+00
      3  -0.229628D+00 -0.727101D+00 -0.490181D+00  0.737386D+00  0.103569D+01
                16            17            18            19            20 
      1   0.180796D+01 -0.689466D+00  0.323846D+00  0.138469D+01 -0.210920D+01
      2  -0.689466D+00  0.932779D+00  0.470798D+00 -0.210920D+01 -0.191771D+01
      3   0.323846D+00  0.470798D+00 -0.806172D+01  0.883417D+00  0.146800D+00
                21            22            23            24            25 
      1   0.883417D+00 -0.319801D+01 -0.259014D+01  0.928970D-01  0.169885D+01
      2   0.146800D+00 -0.259014D+01  0.235374D+01  0.847007D+00  0.255587D+00
      3   0.671009D+00  0.928970D-01  0.847007D+00  0.102844D+01  0.117203D+00
                26            27            28            29            30 
      1   0.255587D+00  0.117203D+00 -0.293970D+00  0.315766D+01 -0.108197D+01
      2   0.161657D+01  0.553672D+00  0.315766D+01  0.141931D+01 -0.128419D-01
      3   0.553672D+00 -0.741205D+01 -0.108197D+01 -0.128419D-01 -0.830953D+00
                31            32            33            34            35 
      1   0.356189D+01  0.253605D+01  0.734262D-01 -0.143085D+01  0.185831D+00
      2   0.253605D+01 -0.318020D+01 -0.886808D+00  0.185831D+00 -0.147512D+01
      3   0.734262D-01 -0.886808D+00 -0.623358D+00 -0.444898D+00  0.122452D-01
                36            37            38            39            40 
      1  -0.444898D+00  0.213631D+01 -0.275847D+01  0.604335D+00 -0.413164D+01
      2   0.122452D-01 -0.275847D+01 -0.314287D+00 -0.459570D+00 -0.896970D+00
      3   0.781553D+01  0.604335D+00 -0.459570D+00  0.361436D-01 -0.931308D-01
                41            42            43            44            45 
      1  -0.896970D+00 -0.931308D-01  0.289615D+01  0.253503D+00  0.199250D+00
      2  -0.326980D+01  0.972559D+00  0.253503D+00  0.131227D+01 -0.743303D+00
      3   0.972559D+00  0.456279D+00  0.199250D+00 -0.743303D+00 -0.966194D+00
                46            47            48            49            50 
      1  -0.381166D+01  0.546505D+00 -0.326815D+00  0.303305D+01  0.200087D+01
      2   0.546505D+00  0.175985D+01  0.783733D+00  0.200087D+01 -0.158880D+01
      3  -0.326815D+00  0.783733D+00 -0.357332D+00  0.856252D-01 -0.616047D+00
                51            52            53            54            55 
      1   0.856252D-01 -0.151162D+01  0.229077D+00  0.309389D-01  0.424218D+01
      2  -0.616047D+00  0.229077D+00 -0.129569D+01 -0.808915D-01 -0.849606D+00
      3  -0.173944D+01  0.309389D-01 -0.808915D-01  0.791672D+01  0.129989D+01
                56            57            58            59            60 
      1  -0.849606D+00  0.129989D+01 -0.232706D+00 -0.154985D+00 -0.266976D+00
      2   0.165552D+01 -0.154088D+00 -0.154985D+00  0.762586D+01  0.132307D+01
      3  -0.154088D+00  0.742704D+00 -0.266976D+00  0.132307D+01 -0.101693D+00
                61            62            63            64            65 
      1   0.197325D+01 -0.974413D+00  0.966388D-01  0.468209D+00 -0.330738D+00
      2  -0.974413D+00  0.321898D+01  0.152660D+01 -0.330738D+00 -0.330311D+00
      3   0.966388D-01  0.152660D+01  0.423747D+00 -0.902269D+00 -0.179864D-01
                66            67            68            69            70 
      1  -0.902269D+00 -0.165309D+00 -0.334989D+00  0.898388D-02 -0.169152D+01
      2  -0.179864D-01 -0.334989D+00  0.795759D+00 -0.105435D+01  0.112757D+00
      3   0.158898D+00  0.898388D-02 -0.105435D+01  0.336669D+00 -0.209268D-01
                71            72            73            74            75 
      1   0.112757D+00 -0.209268D-01 -0.396472D+01  0.322289D+01 -0.108604D+01
      2  -0.187936D+01  0.829498D+00  0.322289D+01  0.719003D+00 -0.906207D-01
      3   0.829498D+00 -0.735821D+01 -0.108604D+01 -0.906207D-01  0.675624D+00
                76            77            78            79            80 
      1   0.619492D+01 -0.335918D+00  0.318408D+00 -0.303265D+01  0.201269D+00
      2  -0.335918D+00  0.332773D+01 -0.922489D+00  0.201269D+00 -0.112665D+01
      3   0.318408D+00 -0.922489D+00  0.562653D+00 -0.130607D+01  0.525235D+00
                81            82            83            84            85 
      1  -0.130607D+01 -0.708372D+00  0.332041D+00  0.104228D+01  0.271960D+00
      2   0.525235D+00  0.332041D+00  0.233419D+00  0.370388D-01  0.263643D+00
      3  -0.376033D+00  0.104228D+01  0.370388D-01 -0.257894D+00  0.685101D-01
                86            87            88            89            90 
      1   0.263643D+00  0.685101D-01  0.201791D+01  0.110577D+00 -0.775760D+00
      2  -0.463942D+00  0.101334D+01  0.110577D+00  0.157411D+01 -0.256610D+00
      3   0.101334D+01 -0.514151D+00 -0.775760D+00 -0.256610D+00  0.756245D+01
                91            92            93            94            95 
      1  -0.275060D+00  0.219208D+00  0.984941D+00  0.294639D+00  0.445987D+00
      2   0.219208D+00  0.422753D+00  0.578998D-01  0.445987D+00 -0.414557D+00
      3   0.984941D+00  0.578998D-01 -0.956417D-01  0.734736D-01  0.884539D+00
                96            97            98            99           100 
      1   0.734736D-01  0.185528D+01  0.425415D-02  0.322138D+00  0.612332D+01
      2   0.884539D+00  0.425415D-02  0.166252D+01  0.169652D+00  0.188005D+01
      3  -0.285888D+00  0.322138D+00  0.169652D+00  0.726669D+01 -0.830707D+00
               101           102           103           104           105 
      1   0.188005D+01 -0.830707D+00  0.878822D+00  0.308084D+01  0.167942D+00
      2   0.371398D+01  0.167153D+00  0.308084D+01 -0.280853D+01 -0.100592D+01
      3   0.167153D+00 -0.135673D-01  0.167942D+00 -0.100592D+01 -0.673716D+00
               106           107           108           109           110 
      1  -0.183581D+01 -0.475561D+00  0.108903D+01  0.114228D+01 -0.287096D+01
      2  -0.475561D+00 -0.217710D+01  0.484522D+00 -0.287096D+01  0.407483D+00
      3   0.108903D+01  0.484522D+00 -0.202661D+00  0.176879D+01 -0.344226D+00
               111           112           113           114           115 
      1   0.176879D+01 -0.277342D+01 -0.165168D+01  0.491054D-01  0.283980D+01
      2  -0.344226D+00 -0.165168D+01  0.630633D+01  0.127519D+01  0.423470D-01
      3   0.906311D+00  0.491054D-01  0.127519D+01 -0.338649D+00 -0.202491D+00
               116           117           118           119           120 
      1   0.423470D-01 -0.202491D+00  0.881281D+00 -0.567951D+00 -0.103229D+01
      2   0.130975D+01  0.630887D+00 -0.567951D+00 -0.620415D-01 -0.270538D-01
      3   0.630887D+00 -0.737838D+01 -0.103229D+01 -0.270538D-01  0.623822D+00
               121           122           123           124           125 
      1  -0.625490D+00 -0.891512D-01 -0.759666D-01 -0.233967D+01 -0.956530D-01
      2  -0.891512D-01  0.256967D+00 -0.935349D+00 -0.956530D-01 -0.138089D+01
      3  -0.759666D-01 -0.935349D+00 -0.438106D-01  0.852802D+00 -0.469955D+00
               126           127           128           129           130 
      1   0.852802D+00 -0.411105D+01 -0.252085D+01  0.110219D+00 -0.274590D+01
      2  -0.469955D+00 -0.252085D+01 -0.275315D+01 -0.380104D-01 -0.277146D+01
      3  -0.739616D+01  0.110219D+00 -0.380104D-01 -0.980630D-01 -0.367442D+00
               131           132           133           134           135 
      1  -0.277146D+01 -0.367442D+00 -0.620128D+00 -0.812349D+00 -0.108398D-01
      2  -0.518276D+01 -0.502445D+00 -0.812349D+00 -0.175875D+01  0.955895D+00
      3  -0.502445D+00  0.109271D+01 -0.108398D-01  0.955895D+00 -0.523200D+01
               136           137           138           139           140 
      1   0.634415D-02 -0.361125D+00 -0.114169D+01 -0.424573D+00 -0.538625D+00
      2  -0.361125D+00 -0.410833D+00 -0.814408D-01 -0.538625D+00 -0.316455D+00
      3  -0.114169D+01 -0.814408D-01 -0.196133D+00  0.769609D-01 -0.939012D+00
               141           142           143           144           145 
      1   0.769609D-01 -0.219818D+01 -0.334119D+00 -0.895973D+00 -0.559573D+01
      2  -0.939012D+00 -0.334119D+00 -0.155310D+01 -0.113859D+01  0.306602D+01
      3  -0.124602D+00 -0.895973D+00 -0.113859D+01 -0.773753D+01 -0.515167D+00
               146           147           148           149           150 
      1   0.306602D+01 -0.515167D+00  0.214008D+01 -0.171404D+01  0.148946D+00
      2  -0.345606D+01  0.631710D-01 -0.171404D+01  0.251456D+01 -0.241838D+00
      3   0.631710D-01 -0.103944D+01  0.148946D+00 -0.241838D+00  0.688656D+00
               151           152           153           154           155 
      1  -0.118163D+01  0.599044D+00 -0.754837D+00 -0.633480D+01 -0.197962D+01
      2   0.599044D+00 -0.938433D+00  0.702501D+00 -0.197962D+01 -0.197019D+01
      3  -0.754837D+00  0.702501D+00 -0.134376D+00  0.881812D-02  0.469400D-01
               156           157           158           159           160 
      1   0.881812D-02 -0.431431D+01 -0.186532D+01 -0.154860D+00  0.792445D+00
      2   0.469400D-01 -0.186532D+01 -0.238301D+01  0.211115D+00  0.171196D+00
      3  -0.101020D+01 -0.154860D+00  0.211115D+00 -0.601948D+00 -0.908062D+00
               161           162           163           164           165 
      1   0.171196D+00 -0.908062D+00 -0.526206D+00  0.633323D+00  0.206654D+00
      2   0.378831D+00 -0.248274D+00  0.633323D+00 -0.101138D+01 -0.327268D-01
      3  -0.248274D+00 -0.782155D-01  0.206654D+00 -0.327268D-01  0.684962D-01
               166           167           168           169           170 
      1   0.205541D+01  0.496546D+00 -0.107504D+00  0.500421D+00 -0.132768D-01
      2   0.496546D+00  0.805329D+01  0.492314D+00 -0.132768D-01  0.121528D+01
      3  -0.107504D+00  0.492314D+00  0.111263D+01  0.185312D+00  0.932541D+00
               171           172           173           174           175 
      1   0.185312D+00  0.845417D+01  0.715066D+00 -0.148093D+01 -0.121426D+00
      2   0.932541D+00  0.715066D+00  0.104011D+01  0.157088D+00  0.250526D+01
      3   0.136774D+00 -0.148093D+01  0.157088D+00  0.289871D+00  0.199331D+00
               176           177           178           179           180 
      1   0.250526D+01  0.199331D+00 -0.279971D+01 -0.176872D+00  0.176964D+01
      2  -0.439600D+01 -0.565715D+00 -0.176872D+00 -0.675275D+00  0.803228D-01
      3  -0.565715D+00 -0.850844D+00  0.176964D+01  0.803228D-01 -0.703242D+00
               181           182           183           184           185 
      1   0.726286D+00 -0.108119D+01 -0.523518D+00 -0.226049D+01  0.219371D+01
      2  -0.108119D+01  0.590758D+00  0.875566D-01  0.219371D+01 -0.899192D+01
      3  -0.523518D+00  0.875566D-01  0.249961D+00  0.746006D-01 -0.691966D+00
               186           187           188           189           190 
      1   0.746006D-01 -0.113287D+01  0.375456D+00  0.428556D+00  0.791327D-01
      2  -0.691966D+00  0.375456D+00 -0.149686D+01 -0.118635D+01  0.276403D+00
      3  -0.104583D+01  0.428556D+00 -0.118635D+01  0.731675D-01  0.109477D+01
               191           192           193           194           195 
      1   0.276403D+00  0.109477D+01  0.820586D+00  0.220310D+00  0.503492D-02
      2   0.247368D-01  0.415993D-01  0.220310D+00 -0.694695D+00  0.905860D+00
      3   0.415993D-01 -0.923107D-01  0.503492D-02  0.905860D+00  0.424076D+00
               196           197           198           199           200 
      1   0.216885D+01 -0.254378D+00  0.948922D+00 -0.505282D+00 -0.251705D+00
      2  -0.254378D+00  0.142865D+01 -0.104097D+01 -0.251705D+00  0.696877D-01
      3   0.948922D+00 -0.104097D+01  0.846324D+01  0.430346D+00 -0.146706D+00
               201           202           203           204           205 
      1   0.430346D+00 -0.347817D+00 -0.286666D+00  0.181098D+00  0.187928D+01
      2  -0.146706D+00 -0.286666D+00 -0.144523D+01  0.890017D+00  0.932816D+00
      3   0.322880D+00  0.181098D+00  0.890017D+00 -0.114132D+01 -0.108239D+01
               206           207           208           209           210 
      1   0.932816D+00 -0.108239D+01  0.148630D+00  0.127349D+01  0.141328D+00
      2   0.274277D+01 -0.247303D+01  0.127349D+01 -0.520927D+00 -0.101223D+00
      3  -0.247303D+01  0.593317D+01  0.141328D+00 -0.101223D+00  0.412548D+00
               211           212           213           214           215 
      1   0.326419D+01 -0.499316D+00 -0.319149D+00  0.312970D+00 -0.160903D+00
      2  -0.499316D+00  0.563271D+01 -0.579465D-01 -0.160903D+00  0.307286D+00
      3  -0.319149D+00 -0.579465D-01  0.976941D+00  0.484014D+00  0.351490D+00
               216 
      1   0.484014D+00
      2   0.351490D+00
      3  -0.292987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101712D+01  0.250933D-01 -0.437893D+00 -0.121227D+01  0.204127D+01
      2   0.808123D+00  0.754181D-01  0.144937D+01  0.496954D+00  0.150298D+01
      3  -0.112634D+01 -0.365100D-01 -0.780257D+00  0.538396D+01 -0.718280D+00
                 6             7             8             9            10 
      1   0.608742D+00  0.545367D+00  0.394423D+01 -0.752357D+01 -0.644488D+00
      2   0.295732D+00 -0.271055D+01 -0.652875D-01 -0.478901D+01 -0.227172D+01
      3  -0.261094D+00 -0.417779D+00 -0.122651D+01 -0.929548D+00 -0.227353D+01
                11            12            13            14            15 
      1  -0.157230D+01 -0.680651D+00 -0.268059D+00 -0.152574D+01 -0.183160D+01
      2  -0.258819D+00  0.242620D+00  0.461331D+00 -0.127743D+01 -0.146058D+01
      3  -0.479848D+01 -0.141983D+00  0.914510D+00  0.224416D+01  0.214012D+01
                16            17            18            19            20 
      1  -0.100308D+01  0.208594D+01 -0.590159D+00 -0.164407D+01 -0.508135D-01
      2  -0.365682D+01 -0.899432D+00  0.110024D+02 -0.637828D-01  0.961052D+00
      3  -0.724733D+00  0.143437D+01  0.883001D+00  0.204744D+01 -0.380351D+01
                21            22            23            24            25 
      1   0.624473D+00 -0.896187D+00 -0.128828D+01 -0.862599D+00  0.395258D+00
      2   0.244563D+00  0.569381D+00  0.824307D+00 -0.210071D+00 -0.413120D+01
      3   0.254300D+00  0.251133D+01 -0.366173D+01 -0.127643D+01  0.151645D+01
                26            27            28            29            30 
      1   0.211480D+01  0.488737D+01 -0.142080D+01  0.374561D+00  0.107151D+01
      2   0.336515D+00 -0.413880D+01 -0.163681D+01  0.968962D+00 -0.186366D+01
      3  -0.849252D+00 -0.384038D+00 -0.514476D+01 -0.765313D+01  0.364498D+00
                31            32            33            34            35 
      1  -0.697991D+00  0.124388D+00 -0.475526D+00 -0.334170D+00  0.336009D+01
      2  -0.456170D+00 -0.932595D+00 -0.251505D+01 -0.518278D+01  0.786732D+00
      3  -0.382208D+01  0.504056D+01  0.181408D+01  0.966301D+00  0.855148D+00
                36            37            38            39            40 
      1   0.371332D+01  0.184610D+01 -0.296390D-01 -0.106018D+01  0.413995D+00
      2   0.125673D+02  0.380474D+00  0.437149D-01  0.945003D+01 -0.267733D+00
      3   0.404044D+00 -0.411653D+01 -0.141558D+01 -0.136015D+01  0.171486D+02
                41            42            43            44            45 
      1   0.814536D+00 -0.432596D+01  0.170392D+01  0.196136D+01  0.320599D+00
      2  -0.979766D-01  0.560752D+00 -0.634764D+01 -0.137803D+01  0.101362D+01
      3   0.205906D+01 -0.197727D-01 -0.459087D+01 -0.664787D+00 -0.234702D+00
                46            47            48            49            50 
      1  -0.354660D+00 -0.735421D-01 -0.415570D+00 -0.106551D+01  0.849020D-01
      2   0.126546D+01  0.398040D+00 -0.358695D+01 -0.107513D-01  0.199665D+01
      3   0.706631D+01  0.320092D+01  0.622622D+00 -0.169251D+00 -0.184284D+01
                51            52            53            54            55 
      1  -0.851653D+00 -0.159573D+01  0.317987D+01  0.827904D+01 -0.391106D+01
      2   0.256472D+01 -0.392858D+01 -0.952977D+00 -0.128308D+02 -0.332338D+01
      3  -0.166148D+01  0.181950D+01 -0.176590D+01 -0.398221D+00  0.147572D+02
                56            57            58            59            60 
      1   0.151631D+01 -0.138027D+01  0.198379D+01 -0.352111D+01 -0.580968D+01
      2   0.240031D+01  0.108482D+01  0.569444D+00 -0.202878D+01 -0.470657D+00
      3  -0.491865D+01  0.264708D+01  0.400154D+01  0.839534D+01  0.213953D+00
                61            62            63            64            65 
      1  -0.108470D+01  0.973336D+00 -0.313282D+01  0.114403D+01 -0.328337D-01
      2  -0.429851D+01 -0.132415D+00 -0.115442D+01  0.997104D+00 -0.463937D+00
      3   0.570999D+01  0.143540D+01  0.168301D+01  0.428059D+00 -0.151414D+01
                66            67            68            69            70 
      1  -0.408714D+00  0.218829D-01  0.135929D+01 -0.467242D+00 -0.221137D+00
      2   0.881697D+00 -0.263099D+00  0.483556D+00  0.703145D-02 -0.380205D+01
      3  -0.101049D+01  0.547287D+00  0.176064D+00 -0.658869D+00 -0.239256D+01
                71            72            73            74            75 
      1   0.344522D+01  0.873000D+01 -0.898080D+00  0.950033D-01  0.133635D+01
      2  -0.383583D+00  0.494045D+01  0.495303D+01  0.120842D+01  0.439755D+01
      3  -0.113490D+01  0.770526D+00  0.101689D+02 -0.313341D+00 -0.321323D+00
                76            77            78            79            80 
      1  -0.179812D+01 -0.573280D+00 -0.238319D+01  0.149878D+01  0.307548D+01
      2   0.102356D+01  0.269832D+01 -0.348186D+01 -0.107849D+01 -0.178076D+01
      3   0.725077D+01  0.156009D+02 -0.203026D+01 -0.399550D+00 -0.487490D+01
                81            82            83            84            85 
      1   0.447028D+00  0.708859D-01  0.228824D+00 -0.243422D-01  0.573892D+00
      2   0.281089D+01 -0.196892D+01 -0.897791D-01  0.608069D+00  0.649106D-01
      3   0.957149D+00  0.609600D+00 -0.398961D+00  0.100643D+00  0.150759D+01
                86            87            88            89            90 
      1  -0.413917D+00 -0.140699D+01  0.329573D+00  0.394376D+01 -0.113088D+01
      2  -0.176933D+01  0.918216D+00 -0.313409D+01  0.274821D+00 -0.121675D+02
      3  -0.529662D+00  0.132421D+01  0.271724D+00  0.295955D+01 -0.515489D-01
                91            92            93            94            95 
      1  -0.924609D+00  0.201560D+00  0.496024D+00  0.154076D+00 -0.126520D+01
      2   0.136368D+01  0.283436D+00  0.244974D+00  0.584370D+00  0.300204D+00
      3  -0.321204D+00 -0.940568D+00  0.740600D+00  0.994922D+00  0.281135D+00
                96            97            98            99           100 
      1  -0.530657D+00 -0.401923D+00  0.398151D+01 -0.598315D+01  0.208524D+01
      2  -0.619273D+00 -0.437351D+01  0.325131D+00  0.459818D+01 -0.160144D+01
      3  -0.418845D+00  0.135282D+01 -0.114265D+01 -0.260797D-01  0.983013D+01
               101           102           103           104           105 
      1  -0.234073D+00 -0.204623D+01  0.753380D+00  0.425313D+01 -0.230406D+01
      2  -0.736151D+00  0.491597D+01  0.275007D+00 -0.181943D+01  0.104886D+01
      3  -0.110310D+02 -0.140868D+01 -0.182393D+01  0.134712D+02  0.239550D+01
               106           107           108           109           110 
      1  -0.160136D+01  0.358501D+01  0.172601D+01  0.149812D+01 -0.893218D-01
      2  -0.128088D+01  0.707043D+00 -0.131659D+01  0.299954D+01 -0.323398D+00
      3  -0.389378D+01  0.403239D+01  0.861495D+00  0.363011D+01  0.313234D+01
               111           112           113           114           115 
      1   0.171915D+01 -0.140579D+01  0.674818D+01 -0.121018D+01 -0.120079D+01
      2   0.919524D+00  0.424186D+00  0.307377D+01 -0.215480D+01 -0.482429D+01
      3  -0.127796D+01  0.114209D+02 -0.128349D+02 -0.316080D+01 -0.314445D+01
               116           117           118           119           120 
      1   0.264479D+01 -0.122137D+02 -0.444659D+00  0.127663D+00  0.564036D+00
      2   0.182929D+01 -0.160747D+02 -0.921957D+00 -0.327689D+00  0.159121D+01
      3  -0.370008D+01 -0.152740D+01  0.492678D+00 -0.103441D+00  0.855016D+00
               121           122           123           124           125 
      1  -0.729358D-01 -0.103140D+01 -0.607099D+00  0.357179D+00  0.346083D+01
      2  -0.263636D-01 -0.120853D+01  0.198303D-01 -0.373966D+01 -0.492358D+00
      3   0.192244D+01 -0.100122D+01  0.132993D+01  0.199923D+01  0.230602D+01
               126           127           128           129           130 
      1  -0.382857D+01 -0.833092D-02 -0.439482D+00 -0.179710D+01  0.410314D+00
      2  -0.100584D+02 -0.337418D+00 -0.145507D+01  0.570046D+01  0.468965D+00
      3  -0.267527D+00  0.565056D+01 -0.564300D+01  0.771324D+00  0.592264D+01
               131           132           133           134           135 
      1  -0.120426D+00 -0.309378D+01  0.165497D+01  0.494290D+01 -0.135108D+02
      2   0.780007D+00 -0.836804D+00 -0.122545D+01 -0.315758D+01  0.114700D+02
      3  -0.553822D+01 -0.646482D+00  0.274742D+00 -0.111673D+01  0.252440D+01
               136           137           138           139           140 
      1  -0.136844D+01  0.730781D-01 -0.371641D+00  0.638963D+00 -0.123233D+01
      2   0.190533D+01 -0.260806D-01  0.785890D+00  0.135133D+00  0.101221D+01
      3  -0.636839D+00 -0.124264D+01  0.171761D+01  0.668797D+00  0.914437D+00
               141           142           143           144           145 
      1  -0.598154D+00 -0.615680D+00  0.292225D+01 -0.874524D+01  0.304610D+01
      2  -0.953014D-01 -0.341655D+01  0.120912D+01  0.112492D+02  0.304326D+01
      3  -0.138363D+01  0.319163D+01 -0.186235D+01  0.605984D+00 -0.149237D+02
               146           147           148           149           150 
      1  -0.132807D+01  0.338578D+01 -0.106448D+01  0.121368D+01 -0.175917D+01
      2  -0.168229D+01  0.255550D+01 -0.117814D+01  0.100162D+01 -0.132985D+01
      3   0.276122D+01 -0.188877D+01  0.452108D+01 -0.228150D+01  0.192885D+00
               151           152           153           154           155 
      1   0.220214D+01 -0.100324D+01  0.604498D+00  0.129671D+01  0.782468D+00
      2   0.773253D+00 -0.124581D+01  0.579470D+00 -0.239347D+01 -0.126600D+01
      3  -0.371117D+01  0.430007D+00 -0.113301D+01 -0.972646D+01 -0.890915D+01
               156           157           158           159           160 
      1  -0.367689D+00  0.110162D+01  0.854315D+00 -0.374867D+00 -0.281429D+00
      2   0.367249D+01 -0.158905D+01 -0.165700D+01  0.267070D+01  0.186526D+01
      3   0.183161D+00 -0.754041D+01 -0.122414D+02  0.905572D+00  0.844008D+00
               161           162           163           164           165 
      1   0.844249D+00  0.335894D+00 -0.478949D+00  0.478393D+00  0.247949D+00
      2   0.997444D+00  0.301646D-01  0.456994D+00 -0.155268D+00 -0.246768D+00
      3   0.215286D+01 -0.816297D+00 -0.463200D+01  0.413272D+01  0.832945D+00
               166           167           168           169           170 
      1   0.431998D+00 -0.280071D+01 -0.346502D+01 -0.285621D+00 -0.144792D+01
      2  -0.372034D+00  0.749391D+00  0.160613D+01 -0.875353D+00  0.133137D+01
      3   0.636549D+01 -0.170584D+02 -0.166132D+01  0.190272D+01 -0.312921D+01
               171           172           173           174           175 
      1  -0.519670D+00 -0.103806D+01 -0.839574D+00 -0.142074D+01  0.880197D+00
      2   0.916244D-01 -0.397961D+01 -0.884071D+00  0.755247D+01  0.443618D+00
      3  -0.115485D+01 -0.863365D+01 -0.126986D+02  0.157564D+01 -0.775559D+01
               176           177           178           179           180 
      1   0.170596D+01 -0.325430D+01  0.211545D+01  0.385703D+01  0.191558D+00
      2  -0.145837D+01 -0.141854D+01  0.197344D+01  0.334745D-01 -0.376537D+01
      3   0.194822D+02  0.106315D+01  0.195919D+01  0.386253D+01 -0.194028D+01
               181           182           183           184           185 
      1  -0.138994D+01  0.510307D+00  0.669497D+00  0.810816D+00 -0.473938D+01
      2  -0.134983D+01  0.529101D+00  0.136242D+01  0.450352D+00 -0.185607D+01
      3   0.195411D+01 -0.844670D+00  0.623732D+00  0.842781D+00  0.194926D+02
               186           187           188           189           190 
      1  -0.441995D+01  0.860423D+00 -0.156553D+01 -0.406257D+00  0.191205D+01
      2  -0.283623D+01  0.418679D+00 -0.282008D+01  0.996243D-01  0.338219D+01
      3   0.175993D+01  0.169834D+01  0.306285D+01  0.230460D+01 -0.189870D+00
               191           192           193           194           195 
      1  -0.695359D-01 -0.182711D-01 -0.147166D+00  0.111871D+01  0.587933D+00
      2  -0.119981D+00 -0.373046D-01 -0.757805D+00  0.240563D+01  0.956326D+00
      3  -0.129157D+01 -0.147592D+01 -0.982206D+00  0.117501D+01 -0.199097D+01
               196           197           198           199           200 
      1   0.742664D+00  0.271619D+01  0.120951D+02  0.101304D+01 -0.163046D-01
      2  -0.255809D+01 -0.219179D+01  0.203250D+02 -0.200188D+01 -0.229911D-01
      3  -0.240568D+01 -0.334959D+01  0.197454D+01 -0.315395D+00  0.165728D+00
               201           202           203           204           205 
      1   0.964166D+00  0.452554D+00  0.236278D+01 -0.300476D+01 -0.269321D+01
      2  -0.747810D+00 -0.633168D+00 -0.216192D+01  0.274298D+01  0.936386D-01
      3  -0.119404D+01  0.486617D+00 -0.191288D+01  0.148068D+01 -0.273206D+01
               206           207           208           209           210 
      1  -0.401850D+01  0.154510D+02 -0.403242D+00  0.362231D+00 -0.649645D+00
      2   0.562206D+01 -0.133948D+02  0.146345D+00  0.131806D+00  0.526097D+00
      3   0.367681D+01 -0.303594D+01 -0.512058D+01  0.428108D+01  0.381424D+00
               211           212           213           214           215 
      1   0.149716D+00 -0.335808D+01  0.136510D+00 -0.561117D+00  0.879332D+00
      2  -0.412898D+00 -0.561228D+00  0.403774D+01  0.341180D-01  0.152037D+01
      3   0.508834D+01 -0.281848D+02  0.401974D+00  0.905973D+00 -0.139108D+01
               216 
      1  -0.756817D-02
      2  -0.939773D+00
      3  -0.106932D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.367633D+00 -0.718696D+01  0.996626D-01 -0.483671D+01  0.942676D+01
      2   0.279463D+01  0.944981D+01 -0.604540D+00  0.621213D+01 -0.194683D+02
      3  -0.316226D+01 -0.226285D+01  0.504877D+00 -0.137542D+01  0.100415D+02
      4  -0.431290D+01 -0.876294D+00 -0.691888D+00 -0.779882D+01  0.836995D+01
      5   0.125376D+01 -0.905962D+00  0.152108D+00 -0.249013D+01  0.155478D+01
      6   0.432411D+00  0.121767D+01  0.951335D+00  0.218986D+01 -0.590034D+01
                 6             7             8             9            10 
      1   0.214404D+01  0.114459D+01  0.397586D+01  0.754236D+01 -0.170795D+02
      2  -0.143328D+01  0.228126D+00 -0.966327D+01  0.382955D+01  0.774880D+01
      3  -0.710765D+00 -0.137272D+01  0.568741D+01 -0.113719D+02  0.933074D+01
      4   0.204529D+01 -0.224568D+01  0.329817D+01 -0.222269D-01  0.907848D+01
      5   0.823114D+00  0.136370D+01  0.104271D+01 -0.103830D+02 -0.646671D+01
      6  -0.656782D+01 -0.301073D+00 -0.203499D+01  0.193661D+02  0.380987D+00
                11            12            13            14            15 
      1   0.451352D+01 -0.153585D+01  0.994283D+01  0.716490D+01  0.116175D+01
      2  -0.136159D+01  0.325820D+01 -0.627445D+01 -0.304028D+01 -0.173143D+01
      3  -0.315193D+01 -0.172235D+01 -0.366838D+01 -0.412462D+01  0.569680D+00
      4  -0.289813D+01  0.929130D+00  0.556134D+01 -0.536950D+01 -0.199895D+01
      5   0.851979D+00 -0.369150D+01  0.274182D+01 -0.795449D+00 -0.269085D+01
      6  -0.180089D+01  0.193592D+01 -0.110168D+01  0.282844D+00  0.900398D+00
                16            17            18            19            20 
      1  -0.998020D+01  0.184964D+01  0.538543D+01 -0.512164D+01  0.101393D+01
      2   0.330965D+01 -0.179437D+01  0.678188D+01 -0.521166D+00 -0.607392D+01
      3   0.667054D+01 -0.552696D-01 -0.121673D+02  0.564280D+01  0.505999D+01
      4   0.500175D+01 -0.327486D+01 -0.224428D+01 -0.503946D+01 -0.872559D+01
      5  -0.157828D+01 -0.199427D+01  0.283820D+02  0.280972D+01  0.123294D+01
      6   0.236528D+00  0.142337D+00  0.919219D+00  0.679446D-02  0.138140D+01
                21            22            23            24            25 
      1  -0.526261D+00 -0.632412D+01 -0.423795D+01 -0.167485D+01  0.265971D+01
      2  -0.174689D+01  0.724756D+00  0.311918D+01  0.229014D+00  0.421480D+00
      3   0.227315D+01  0.559937D+01  0.111877D+01  0.144584D+01 -0.308119D+01
      4   0.679379D+00 -0.935287D+01 -0.198173D+01  0.107878D+00  0.383062D+01
      5  -0.313422D+01  0.164579D+01  0.464647D+00 -0.983517D+00  0.270142D+00
      6  -0.171608D+01  0.864894D-01  0.260360D+01 -0.947461D+00 -0.721765D-01
                26            27            28            29            30 
      1  -0.496182D-01  0.524862D+01 -0.103266D+02  0.944464D+01 -0.411189D+01
      2   0.188727D+01  0.857444D+01  0.396824D+01 -0.741066D+01  0.779265D+00
      3  -0.183765D+01 -0.138231D+02  0.635836D+01 -0.203398D+01  0.333262D+01
      4   0.358418D+01  0.115241D+01 -0.153573D+00 -0.725745D+01  0.258590D+01
      5   0.566557D+00 -0.100514D+02 -0.426913D+01  0.128463D+01 -0.723060D+01
      6   0.255332D+01 -0.117206D+02  0.381492D+01 -0.614464D+00  0.320250D+00
                31            32            33            34            35 
      1   0.643018D+01  0.372177D+01 -0.297267D+01 -0.261057D+01  0.203612D+00
      2  -0.430092D+01 -0.373242D+01  0.901319D-01 -0.813961D+00  0.128538D+01
      3  -0.212925D+01  0.106490D-01  0.288253D+01  0.342454D+01 -0.148900D+01
      4  -0.632893D+01 -0.127432D+02 -0.140948D+01  0.206690D+01 -0.173137D+01
      5   0.229322D+00 -0.803380D+00 -0.398565D+01 -0.258130D+01  0.349456D+00
      6  -0.529797D+00  0.169446D+01 -0.154091D+01  0.799769D+00 -0.353446D+00
                36            37            38            39            40 
      1   0.539295D+01  0.102957D+01 -0.215642D+01 -0.982001D+00  0.637320D+00
      2   0.576322D+01  0.113253D+01  0.202904D+01 -0.261491D+00  0.350329D+00
      3  -0.111562D+02 -0.216210D+01  0.127385D+00  0.124349D+01 -0.987649D+00
      4   0.574127D+00 -0.311410D+01  0.149037D+02 -0.182700D+01  0.130279D+02
      5   0.222625D+02  0.140471D+01 -0.267462D+00  0.159902D+02 -0.132538D+01
      6  -0.914434D+01 -0.193856D+01  0.164144D+01  0.196203D+01 -0.447131D+00
                41            42            43            44            45 
      1  -0.142682D+02  0.366668D+01  0.865318D+00  0.272239D+01 -0.585005D+01
      2   0.194479D+02 -0.138172D+01 -0.187909D+01 -0.344641D+01 -0.392649D+00
      3  -0.517971D+01 -0.228497D+01  0.101377D+01  0.724016D+00  0.624270D+01
      4   0.245741D+01 -0.407001D+00 -0.685112D+01 -0.341220D+00 -0.132764D+01
      5  -0.700084D+00  0.167650D+01  0.436989D+01 -0.345293D+00  0.172479D+01
      6  -0.361269D+01  0.508633D+01 -0.878418D+00  0.646704D+01  0.355272D+00
                46            47            48            49            50 
      1  -0.868257D+01  0.324239D+01  0.429499D+01 -0.793114D+01 -0.330036D+01
      2   0.422519D+01 -0.791977D+01 -0.145903D+01 -0.541035D-01 -0.412281D+01
      3   0.445738D+01  0.467738D+01 -0.283596D+01  0.798524D+01  0.742318D+01
      4   0.250875D+01 -0.181396D+02 -0.744052D+00 -0.172005D+02 -0.349667D+01
      5   0.926949D+00 -0.616524D+00 -0.870951D+01  0.171090D+01  0.946851D+00
      6  -0.115015D+00 -0.224546D+01 -0.191823D+01  0.663979D+00  0.171963D+01
                51            52            53            54            55 
      1  -0.105433D+01  0.422315D+01 -0.752361D+00  0.804990D+01 -0.400042D+01
      2  -0.537127D+00  0.807096D+00  0.598802D+01  0.765547D+01 -0.288174D+01
      3   0.159146D+01 -0.503025D+01 -0.523566D+01 -0.157054D+02  0.688216D+01
      4   0.177025D+01  0.277055D+01  0.243971D+01  0.158590D+01  0.210536D+02
      5   0.331495D+01 -0.189381D+01 -0.579758D-01 -0.240985D+02 -0.219102D+01
      6  -0.130971D+01  0.332265D+00 -0.229923D+00 -0.209071D+02  0.643106D+01
                56            57            58            59            60 
      1   0.920488D+00 -0.239252D+01  0.298560D+01 -0.301936D+02 -0.556799D+01
      2   0.427256D+01  0.566342D+00 -0.170114D+01  0.461657D+02  0.491677D+01
      3  -0.519305D+01  0.182618D+01 -0.128446D+01 -0.159720D+02  0.651216D+00
      4  -0.470280D+01  0.532194D+01  0.338236D+01 -0.134749D+02 -0.379209D+01
      5   0.100496D+01  0.356670D+01  0.146354D+01 -0.281805D+01 -0.152788D+01
      6  -0.176985D+01  0.172309D+01 -0.252926D+01  0.104168D+02  0.111518D+02
                61            62            63            64            65 
      1  -0.182931D+01 -0.899097D+01 -0.832628D+01  0.268874D-01  0.638172D+00
      2  -0.201012D+01  0.150882D+02  0.415118D+01 -0.310154D+01 -0.796464D+00
      3   0.383943D+01 -0.609724D+01  0.417510D+01  0.307465D+01  0.158292D+00
      4   0.103059D+02 -0.963917D+01 -0.174860D+01  0.905982D+00  0.202734D+01
      5   0.346070D+01 -0.344886D+01 -0.249370D+01  0.116681D+01 -0.914280D+00
      6  -0.793336D-01  0.135002D+02  0.666163D+01 -0.297381D+01 -0.479568D+00
                66            67            68            69            70 
      1   0.160496D+01  0.591768D+00 -0.409831D+01  0.267234D+01  0.193096D+01
      2  -0.590177D+00 -0.817273D+00  0.287021D+01 -0.341304D+01 -0.608705D+00
      3  -0.101479D+01  0.225505D+00  0.122810D+01  0.740695D+00 -0.132225D+01
      4  -0.247025D+01  0.200169D+01 -0.136721D+01  0.137187D+01 -0.339310D+01
      5   0.582608D+01 -0.492153D-01  0.119690D+01 -0.139004D+00  0.369913D+01
      6   0.817943D+00 -0.572100D-01 -0.360462D+01  0.613262D+01 -0.292932D+00
                71            72            73            74            75 
      1   0.472958D+01 -0.149419D+02  0.239821D+02 -0.199874D+02  0.477108D+01
      2  -0.454114D+01 -0.114516D+02 -0.132754D+02  0.101706D+02 -0.537978D+01
      3  -0.188443D+00  0.263935D+02 -0.107067D+02  0.981683D+01  0.608703D+00
      4   0.283420D+01 -0.517531D+00 -0.256313D+02  0.536575D+01 -0.647051D+00
      5  -0.112168D+01  0.981145D+01  0.906325D+01 -0.309187D+00  0.816075D+01
      6   0.606234D+01 -0.212554D+02 -0.238208D+01  0.775163D+00 -0.239666D+01
                76            77            78            79            80 
      1  -0.383817D+02 -0.615857D+01 -0.422885D+00  0.171197D+02  0.149469D+00
      2   0.216090D+02  0.761621D+01  0.972593D+00 -0.107260D+02 -0.867444D-02
      3   0.167728D+02 -0.145764D+01 -0.549708D+00 -0.639370D+01 -0.140795D+00
      4   0.523980D+01 -0.192233D+02  0.470141D+01 -0.322240D+01  0.692479D+01
      5  -0.280134D+01  0.503740D+01 -0.537909D+01  0.135467D+02 -0.409642D+01
      6   0.291082D+00 -0.184365D+01  0.499196D+01 -0.235929D+01  0.422778D+01
                81            82            83            84            85 
      1   0.353044D+01  0.276655D+01 -0.929915D+00 -0.438388D+01 -0.766869D+00
      2  -0.681948D+01 -0.413577D+01  0.383200D+00  0.269507D+01  0.342233D+00
      3   0.328905D+01  0.136922D+01  0.546715D+00  0.168882D+01  0.424636D+00
      4  -0.438429D+01 -0.105819D+01  0.991911D+00  0.237570D+00  0.119526D+01
      5   0.611391D+01 -0.446940D+01 -0.238541D+00  0.606685D+01 -0.474032D+00
      6  -0.117408D+01  0.228119D+00 -0.988226D-03  0.186857D+00 -0.106637D+01
                86            87            88            89            90 
      1  -0.360974D+01  0.335208D+00 -0.671887D+01  0.906043D-01 -0.125278D+02
      2   0.418603D+00  0.809922D+00  0.565242D+01  0.596561D+00 -0.145175D+02
      3   0.319114D+01 -0.114513D+01  0.106645D+01 -0.687165D+00  0.270453D+02
      4   0.159149D+01 -0.405520D+01  0.150188D+00 -0.491411D+01  0.104921D+01
      5  -0.416522D+01  0.198820D+01  0.701379D+01  0.136363D+01 -0.285924D+02
      6  -0.957877D-01  0.688636D+01 -0.105766D+00  0.421224D+01  0.124328D+01
                91            92            93            94            95 
      1   0.606545D-01 -0.360137D+00  0.199469D+01 -0.387272D+00 -0.190054D+01
      2  -0.254701D+01  0.663374D+00 -0.509174D+00  0.528018D+00 -0.960584D+00
      3   0.248636D+01 -0.303238D+00 -0.148552D+01 -0.140747D+00  0.286113D+01
      4  -0.182708D+00  0.218684D+01  0.147696D+01  0.269893D+01 -0.483230D-01
      5   0.165355D+01  0.144894D+00  0.511696D+01 -0.162822D+00  0.127931D+01
      6   0.168359D+01 -0.155505D+00 -0.622377D+00  0.233654D+00  0.136390D+01
                96            97            98            99           100 
      1  -0.496277D+00  0.217310D+01 -0.199274D+01 -0.150983D+02  0.233893D+02
      2   0.222605D+01 -0.164071D+01  0.292929D+01 -0.142171D+02 -0.925031D+01
      3  -0.172978D+01 -0.532393D+00 -0.936549D+00  0.293154D+02 -0.141390D+02
      4   0.153207D+01  0.247247D+01  0.265668D+01  0.305809D+00  0.200712D+02
      5  -0.759007D+00  0.462571D+01  0.308083D+00  0.107663D+02 -0.372522D+01
      6   0.560713D+01  0.546400D+00  0.418170D+01  0.124760D+02 -0.251346D+01
               101           102           103           104           105 
      1  -0.549577D+01 -0.206195D+01 -0.102554D+01  0.157632D+02  0.401780D+01
      2   0.134109D+02  0.299258D+01  0.596943D+01 -0.162074D+02 -0.400833D+01
      3  -0.791515D+01 -0.930621D+00 -0.494390D+01  0.444236D+00 -0.947601D-02
      4   0.220424D+02 -0.173473D+01  0.171000D+02 -0.594707D+00 -0.274296D+01
      5  -0.157622D+00  0.863490D+01 -0.386120D+00 -0.423840D+01  0.155889D+01
      6   0.551871D-01  0.343260D+01  0.925345D-01 -0.562614D+01  0.509591D+01
               106           107           108           109           110 
      1  -0.502350D+01  0.493149D+01  0.113779D+00 -0.940313D+01 -0.109716D+02
      2   0.186640D+01 -0.857439D+01 -0.313637D+01  0.767373D+01  0.515565D+01
      3   0.315710D+01  0.364290D+01  0.302259D+01  0.172941D+01  0.581591D+01
      4  -0.609218D+01 -0.762362D+01  0.405854D+01 -0.127555D+02  0.116068D+01
      5   0.812074D+01  0.245744D+01 -0.226575D+01  0.117502D+02 -0.202783D+01
      6   0.494300D+01  0.513125D+01 -0.326804D+01 -0.654639D+01  0.351837D+01
               111           112           113           114           115 
      1   0.391215D+01 -0.236579D+02  0.999933D+01  0.216658D+01  0.181120D+02
      2  -0.502337D+01  0.179609D+02 -0.260442D+02 -0.579907D+01 -0.801832D+01
      3   0.111122D+01  0.569700D+01  0.160449D+02  0.363249D+01 -0.100937D+02
      4  -0.471471D+01 -0.555037D+01  0.298693D+02  0.525740D+01 -0.180418D+01
      5  -0.173516D+01  0.147377D+01  0.537590D+01 -0.424871D+01 -0.210875D+01
      6  -0.330419D+01  0.437494D+00 -0.326627D+01  0.179929D+00  0.585188D+00
               116           117           118           119           120 
      1   0.167882D+01  0.124644D+02  0.239992D+01 -0.164223D+01 -0.195329D+01
      2  -0.461942D+01  0.688515D+01 -0.365786D+01  0.922633D+00  0.156829D+01
      3   0.294060D+01 -0.193495D+02  0.125793D+01  0.719596D+00  0.385000D+00
      4   0.714080D+01  0.361687D+01 -0.225292D+01  0.236199D+01  0.101099D+01
      5   0.324092D+01 -0.342215D+02 -0.287816D+01 -0.114892D+00  0.720563D+01
      6  -0.169862D+01  0.153533D+02  0.109855D+01  0.229985D-01 -0.657776D+00
               121           122           123           124           125 
      1  -0.128543D+01 -0.351046D+01 -0.676045D+00 -0.455590D+01 -0.115908D+01
      2   0.412453D+00  0.953584D+00  0.139380D+01  0.551287D+01  0.802385D+00
      3   0.872979D+00  0.255687D+01 -0.717758D+00 -0.956963D+00  0.356695D+00
      4   0.262541D+01  0.518495D+00 -0.187206D+01  0.287815D+01 -0.257683D+01
      5  -0.519633D-01 -0.268013D+01  0.595772D+00  0.637881D+01 -0.111031D+01
      6  -0.476781D+00  0.151030D+01  0.630397D+01 -0.114171D+01  0.471253D+01
               126           127           128           129           130 
      1  -0.149855D+02  0.174261D+02  0.190011D+01  0.472810D+00  0.578601D+01
      2  -0.126130D+02 -0.855991D+00  0.921916D+01  0.515283D+00  0.578379D+01
      3   0.275986D+02 -0.165701D+02 -0.111193D+02 -0.988093D+00 -0.115698D+02
      4  -0.117315D+01  0.237561D+02  0.268977D+02 -0.320707D+00  0.262429D+02
      5  -0.193102D+02 -0.177489D+01 -0.670004D+00  0.802246D+01  0.256975D+00
      6   0.962214D+01 -0.182085D+00 -0.943427D+00  0.416157D+01  0.841958D+00
               131           132           133           134           135 
      1  -0.625499D+01 -0.129322D+01 -0.697367D+00 -0.411642D+01  0.588911D+01
      2   0.262687D+02  0.203484D+01  0.123116D+01  0.373252D+01 -0.261612D+01
      3  -0.200137D+02 -0.741627D+00 -0.533796D+00  0.383899D+00 -0.327299D+01
      4   0.289561D+02  0.183800D+01  0.380321D+01  0.603013D+01 -0.198368D+01
      5   0.148895D+01 -0.468694D+00  0.435162D+01 -0.275410D+01  0.193578D+02
      6   0.165530D+01  0.352386D+01  0.755400D+00 -0.104360D+01  0.236972D+02
               136           137           138           139           140 
      1   0.852908D-01  0.541681D+00  0.318024D+01 -0.259408D+00 -0.295963D+01
      2  -0.247669D+01  0.322813D-01 -0.142623D+01  0.106967D+01  0.120206D+01
      3   0.239139D+01 -0.573962D+00 -0.175402D+01 -0.810259D+00  0.175757D+01
      4   0.122303D+01  0.384367D+01  0.282148D+01  0.379454D+01  0.148349D+01
      5   0.357993D+01  0.659062D+00  0.680082D+01 -0.252642D+00  0.242958D+01
      6   0.325179D+01 -0.128532D+00  0.550133D+00  0.106143D+00  0.333543D+01
               141           142           143           144           145 
      1  -0.180221D+01  0.276953D+01 -0.393143D+01 -0.160121D+02  0.105782D+02
      2   0.320775D+01 -0.311345D+01  0.248777D+01 -0.126178D+02  0.525381D+01
      3  -0.140555D+01  0.343923D+00  0.144366D+01  0.286299D+02 -0.158320D+02
      4   0.201840D+01  0.531069D+01  0.517756D+01  0.279051D+01 -0.316526D+02
      5  -0.393186D+00  0.719275D+01  0.318081D+01  0.213388D+02  0.468847D-01
      6   0.645245D+01  0.262774D+01  0.740167D+01  0.215323D+02 -0.318201D+01
               146           147           148           149           150 
      1   0.179396D-01  0.181606D+01 -0.865030D+00 -0.237482D+01  0.175753D+00
      2  -0.123474D+02  0.360375D+00 -0.639762D+01  0.112425D+02 -0.135142D+01
      3   0.123295D+02 -0.217644D+01  0.726264D+01 -0.886769D+01  0.117566D+01
      4   0.224538D+02 -0.292925D+01  0.146738D+02 -0.129864D+02  0.150596D+01
      5   0.261493D+00  0.303302D+01  0.189442D+00  0.436129D+00 -0.191750D+01
      6   0.667286D+00 -0.523279D+01  0.994833D+00 -0.109152D+01  0.307515D+01
               151           152           153           154           155 
      1   0.161122D+01  0.101415D+01 -0.245170D+00  0.440698D+02  0.145221D+02
      2   0.130694D+01 -0.369919D+01  0.817736D+00 -0.240558D+02 -0.825279D+01
      3  -0.291816D+01  0.268504D+01 -0.572566D+00 -0.200139D+02 -0.626927D+01
      4  -0.659282D+01  0.462911D+01 -0.468419D+01  0.117561D+02  0.118060D+02
      5   0.383920D+01 -0.236867D+01  0.958830D+00  0.601745D+00 -0.215723D-02
      6  -0.435574D+01  0.457730D+01 -0.928375D+00  0.112903D+01  0.102920D+01
               156           157           158           159           160 
      1  -0.907595D+00  0.292292D+02  0.121283D+02  0.154035D+00 -0.550209D+01
      2  -0.497356D-01 -0.164656D+02 -0.550349D+01 -0.530004D+00  0.309160D+01
      3   0.957331D+00 -0.127636D+02 -0.662485D+01  0.375969D+00  0.241048D+01
      4  -0.282410D+00  0.129431D+02  0.135855D+02 -0.108795D+01 -0.111936D+01
      5   0.616707D+01  0.106698D+01 -0.111098D+01  0.400016D+01  0.725662D+01
      6   0.351757D-01  0.117694D+01  0.924873D+00  0.232421D+00  0.626181D+00
               161           162           163           164           165 
      1  -0.145417D+01  0.424292D+01 -0.142504D+01  0.544936D+01  0.651014D+00
      2   0.678865D+00 -0.376566D+01  0.271029D+01 -0.640986D+01 -0.671580D+00
      3   0.775303D+00 -0.477258D+00 -0.128525D+01  0.960501D+00  0.205664D-01
      4  -0.207826D+01  0.190989D+01 -0.809890D+00  0.503668D+00  0.512250D+00
      5   0.220127D+01  0.284144D+00  0.450786D+00 -0.251990D+00 -0.179048D+00
      6   0.123523D+01 -0.405321D+00  0.103059D+01 -0.355486D+00 -0.423966D-01
               166           167           168           169           170 
      1   0.450493D+01 -0.249558D+02 -0.176202D+01  0.113766D+01 -0.410199D+01
      2  -0.829266D+00  0.414460D+02  0.303965D+01 -0.694729D+00  0.584541D+01
      3  -0.367566D+01 -0.164902D+02 -0.127763D+01 -0.442929D+00 -0.174343D+01
      4   0.680106D+01  0.222845D+02  0.137881D+01  0.124108D+01  0.349021D+01
      5  -0.221705D+00  0.239883D+01  0.305585D+01  0.123961D+01  0.256619D+01
      6  -0.139693D+00  0.319602D+01  0.503902D+01  0.628172D+00  0.640026D+01
               171           172           173           174           175 
      1  -0.354853D+01  0.710424D+02  0.267748D+01 -0.650210D+01  0.206382D+01
      2   0.345246D+01 -0.410852D+02 -0.957246D+00  0.679336D+01 -0.277856D+01
      3   0.960630D-01 -0.299572D+02 -0.172023D+01 -0.291263D+00  0.714736D+00
      4   0.239706D+01 -0.423029D+01  0.137531D+02  0.217532D+01  0.188323D+02
      5   0.196009D+00 -0.119479D+02  0.855941D+00  0.137093D+02  0.417554D+00
      6   0.128076D+01  0.311252D+01 -0.168095D+01  0.938444D+00 -0.110781D+01
               176           177           178           179           180 
      1   0.111688D+02  0.207098D+01 -0.194560D+02 -0.635514D+00  0.814967D+01
      2  -0.195769D+01  0.778094D+00  0.120380D+02 -0.115384D+00 -0.111566D+02
      3  -0.921113D+01 -0.284907D+01  0.741805D+01  0.750898D+00  0.300695D+01
      4  -0.262681D+02 -0.386148D+01  0.106029D+01 -0.520677D+01 -0.139281D+01
      5  -0.421432D+01 -0.262959D+01  0.192472D+02  0.572950D+00 -0.790490D+01
      6   0.145846D+01  0.647029D+01 -0.240716D+01  0.358166D+01  0.130431D+00
               181           182           183           184           185 
      1   0.320346D+01 -0.590301D+01 -0.267727D+01 -0.575342D+01 -0.173151D+02
      2   0.264745D+01  0.121125D+01  0.867997D+00 -0.368564D+01  0.412110D+02
      3  -0.585090D+01  0.469176D+01  0.180927D+01  0.943906D+01 -0.238960D+02
      4  -0.825678D+01  0.100047D+02  0.148586D+01  0.179998D+02 -0.458165D+02
      5  -0.249749D+01  0.418343D+00  0.232144D+01  0.207795D+00 -0.280440D+01
      6   0.158168D+01 -0.450361D+00 -0.803434D+00  0.234243D+00  0.155750D+01
               186           187           188           189           190 
      1  -0.143080D+01 -0.467144D+01 -0.265980D+01 -0.327135D+01  0.115630D+01
      2   0.363307D+01  0.120501D+01  0.595698D+01  0.292406D+01 -0.398068D+01
      3  -0.220227D+01  0.346643D+01 -0.329719D+01  0.347294D+00  0.282438D+01
      4  -0.321187D+01  0.410969D+01 -0.756851D+01 -0.606228D+01  0.761318D+00
      5  -0.562389D+01  0.332214D+01 -0.612531D+01  0.496679D+00  0.624173D+01
      6   0.637111D+01 -0.185149D+01  0.715610D+01  0.175749D+01 -0.199309D+01
               191           192           193           194           195 
      1   0.123589D+01  0.726176D+01  0.484586D+01 -0.375145D+01  0.898969D+00
      2  -0.108412D+01 -0.367157D+01 -0.365367D+01  0.275416D+01 -0.254877D+01
      3  -0.151775D+00 -0.359019D+01 -0.119219D+01  0.997285D+00  0.164981D+01
      4   0.138181D+01 -0.206814D+01  0.129929D+01 -0.379335D+01  0.424605D+01
      5  -0.564473D+00  0.554063D+01  0.133360D+00  0.457619D+01  0.219515D+01
      6  -0.587947D+00  0.450971D+00  0.500924D+00 -0.165423D+01  0.412629D+01
               196           197           198           199           200 
      1   0.942145D+01  0.315080D+01 -0.174304D+02  0.152762D+01  0.259935D+01
      2  -0.710193D+01 -0.203969D+01 -0.132705D+02 -0.120420D+01 -0.154415D+01
      3  -0.231952D+01 -0.111111D+01  0.307009D+02 -0.323419D+00 -0.105520D+01
      4  -0.440145D+01  0.654723D+01 -0.566712D+01  0.231703D+01  0.161718D+01
      5   0.987379D+01 -0.559348D+01  0.425958D+02 -0.196064D+01 -0.550711D+00
      6  -0.252117D+01  0.751051D+01 -0.189843D+02 -0.218734D+01  0.982984D+00
               201           202           203           204           205 
      1  -0.352351D+01  0.660119D+00 -0.494427D+01  0.272807D+01 -0.397482D+01
      2   0.167158D+01  0.798907D+00  0.721748D+01 -0.447451D+01  0.121387D+01
      3   0.185192D+01 -0.145903D+01 -0.227321D+01  0.174644D+01  0.276095D+01
      4  -0.203019D+01  0.275451D+01  0.500151D+01 -0.341955D+01 -0.874164D+01
      5   0.587035D+00 -0.880904D+00 -0.317705D+01  0.430021D+01  0.591845D+01
      6  -0.198046D+01 -0.121149D+01 -0.555437D+01  0.724063D+01  0.498524D+01
               206           207           208           209           210 
      1   0.696419D+01 -0.104237D+02  0.655904D+00  0.731468D+01  0.110228D+01
      2  -0.817854D+01  0.211345D+01  0.101039D+01 -0.346158D+01 -0.476572D+00
      3   0.121436D+01  0.831026D+01 -0.166629D+01 -0.385310D+01 -0.625705D+00
      4  -0.110641D+02  0.959244D+01  0.706733D+01 -0.948583D+00 -0.397562D+00
      5   0.950874D+01 -0.231385D+02  0.933240D+00 -0.743763D+00  0.118022D+01
      6   0.140218D+02 -0.282707D+02 -0.168208D+00 -0.782645D-01  0.120807D+01
               211           212           213           214           215 
      1   0.230978D+02 -0.204195D+01 -0.195814D+01  0.204990D+01 -0.535750D+00
      2  -0.134050D+02  0.210921D+01  0.171543D+01 -0.107938D+01  0.482593D+00
      3  -0.969274D+01 -0.672651D-01  0.242704D+00 -0.970528D+00  0.531572D-01
      4  -0.114606D+01  0.340948D+02 -0.212125D+00 -0.537565D+00  0.126604D+01
      5  -0.244100D+01  0.321992D+00  0.723776D+01  0.386785D+01  0.270631D+01
      6   0.519783D+00 -0.109066D+01 -0.109963D+01  0.349086D+00  0.203923D+01
               216 
      1   0.105021D+01
      2  -0.197559D+01
      3   0.925382D+00
      4   0.217504D+01
      5  -0.212677D+01
      6   0.419674D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:45:24 2021, MaxMem=  5368709120 cpu:           25928.9 elap:            3246.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30095 -19.29967 -19.29447 -19.29393 -19.29204
 Alpha  occ. eigenvalues --  -19.25842 -10.42230 -10.37197 -10.37180 -10.37148
 Alpha  occ. eigenvalues --  -10.36983 -10.34800  -1.19670  -1.15835  -1.14702
 Alpha  occ. eigenvalues --   -1.12681  -1.12509  -1.10805  -0.90229  -0.87945
 Alpha  occ. eigenvalues --   -0.79079  -0.76232  -0.73140  -0.70690  -0.66670
 Alpha  occ. eigenvalues --   -0.65496  -0.63057  -0.61397  -0.60501  -0.59660
 Alpha  occ. eigenvalues --   -0.57881  -0.55311  -0.54786  -0.52625  -0.51241
 Alpha  occ. eigenvalues --   -0.49783  -0.48692  -0.48305  -0.47284  -0.46192
 Alpha  occ. eigenvalues --   -0.44721  -0.42579  -0.41224  -0.39895  -0.39140
 Alpha  occ. eigenvalues --   -0.38500  -0.36832  -0.35845
 Alpha virt. eigenvalues --    0.06519   0.07206   0.08558   0.09460   0.10810
 Alpha virt. eigenvalues --    0.11525   0.12189   0.12994   0.13842   0.14895
 Alpha virt. eigenvalues --    0.16002   0.16393   0.16841   0.17079   0.17926
 Alpha virt. eigenvalues --    0.18266   0.18680   0.19564   0.20407   0.20822
 Alpha virt. eigenvalues --    0.21189   0.21735   0.22239   0.22577   0.23589
 Alpha virt. eigenvalues --    0.23778   0.24693   0.24963   0.25744   0.26264
 Alpha virt. eigenvalues --    0.26947   0.27593   0.28630   0.28985   0.29857
 Alpha virt. eigenvalues --    0.30293   0.30810   0.31637   0.32004   0.32114
 Alpha virt. eigenvalues --    0.32811   0.33709   0.34086   0.34787   0.35461
 Alpha virt. eigenvalues --    0.35629   0.35882   0.36627   0.37212   0.37719
 Alpha virt. eigenvalues --    0.38273   0.38478   0.39125   0.39602   0.40217
 Alpha virt. eigenvalues --    0.40603   0.40979   0.41443   0.41496   0.42268
 Alpha virt. eigenvalues --    0.42453   0.43178   0.43870   0.44088   0.44995
 Alpha virt. eigenvalues --    0.45183   0.45960   0.46405   0.47655   0.48019
 Alpha virt. eigenvalues --    0.48691   0.49498   0.49757   0.50010   0.50610
 Alpha virt. eigenvalues --    0.51125   0.52604   0.53163   0.53341   0.53616
 Alpha virt. eigenvalues --    0.55244   0.55429   0.55696   0.56193   0.56698
 Alpha virt. eigenvalues --    0.57286   0.58242   0.59070   0.59604   0.59874
 Alpha virt. eigenvalues --    0.60543   0.61242   0.61717   0.62203   0.62924
 Alpha virt. eigenvalues --    0.63340   0.63442   0.63715   0.64152   0.65091
 Alpha virt. eigenvalues --    0.65915   0.66892   0.67146   0.67577   0.68073
 Alpha virt. eigenvalues --    0.68567   0.69152   0.69521   0.70448   0.70675
 Alpha virt. eigenvalues --    0.70765   0.71458   0.72392   0.72956   0.73276
 Alpha virt. eigenvalues --    0.74209   0.74835   0.75778   0.76511   0.77155
 Alpha virt. eigenvalues --    0.78087   0.79157   0.79964   0.80535   0.80982
 Alpha virt. eigenvalues --    0.81721   0.83095   0.83760   0.84324   0.84755
 Alpha virt. eigenvalues --    0.85710   0.87002   0.87629   0.87970   0.88729
 Alpha virt. eigenvalues --    0.89301   0.89934   0.91275   0.91569   0.93057
 Alpha virt. eigenvalues --    0.93768   0.95138   0.95639   0.96636   0.97869
 Alpha virt. eigenvalues --    0.99536   1.01312   1.02115   1.02560   1.04687
 Alpha virt. eigenvalues --    1.05599   1.07295   1.09399   1.10531   1.11165
 Alpha virt. eigenvalues --    1.11889   1.13467   1.14981   1.15670   1.17342
 Alpha virt. eigenvalues --    1.19394   1.20750   1.21384   1.22766   1.24244
 Alpha virt. eigenvalues --    1.26160   1.26907   1.29603   1.30221   1.32449
 Alpha virt. eigenvalues --    1.32792   1.34902   1.36567   1.38216   1.39991
 Alpha virt. eigenvalues --    1.40935   1.44615   1.45960   1.46751   1.48372
 Alpha virt. eigenvalues --    1.51252   1.52957   1.55689   1.58468   1.59373
 Alpha virt. eigenvalues --    1.61312   1.62824   1.63907   1.64853   1.66303
 Alpha virt. eigenvalues --    1.67128   1.69133   1.69851   1.71709   1.73350
 Alpha virt. eigenvalues --    1.74612   1.78421   1.79223   1.81529   1.82025
 Alpha virt. eigenvalues --    1.83477   1.84344   1.87484   1.89877   1.91078
 Alpha virt. eigenvalues --    1.91935   1.93577   1.94975   1.96245   1.98392
 Alpha virt. eigenvalues --    1.98870   2.00751   2.01325   2.01816   2.03036
 Alpha virt. eigenvalues --    2.03718   2.05349   2.05621   2.07015   2.08266
 Alpha virt. eigenvalues --    2.10061   2.11056   2.13040   2.14421   2.15286
 Alpha virt. eigenvalues --    2.16446   2.18154   2.19081   2.19124   2.21693
 Alpha virt. eigenvalues --    2.22606   2.25666   2.27001   2.27370   2.28060
 Alpha virt. eigenvalues --    2.29194   2.29922   2.31537   2.32521   2.33459
 Alpha virt. eigenvalues --    2.35298   2.36151   2.38499   2.38609   2.40025
 Alpha virt. eigenvalues --    2.41373   2.42137   2.44040   2.44540   2.44850
 Alpha virt. eigenvalues --    2.45860   2.47872   2.50440   2.51064   2.52876
 Alpha virt. eigenvalues --    2.53881   2.55373   2.57218   2.60521   2.63257
 Alpha virt. eigenvalues --    2.64269   2.67355   2.69510   2.72469   2.75824
 Alpha virt. eigenvalues --    2.79324   2.81271   2.89736   2.95711   2.98688
 Alpha virt. eigenvalues --    3.03119   3.06664   3.08259   3.11322   3.11634
 Alpha virt. eigenvalues --    3.12295   3.13392   3.14654   3.15135   3.15968
 Alpha virt. eigenvalues --    3.17143   3.19100   3.19583   3.21238   3.24496
 Alpha virt. eigenvalues --    3.25767   3.25890   3.28505   3.29578   3.30954
 Alpha virt. eigenvalues --    3.33431   3.35155   3.37203   3.39676   3.57882
 Alpha virt. eigenvalues --    3.62831   3.63820   3.67063   3.68830   3.75338
 Alpha virt. eigenvalues --    3.87035   4.01501   4.04652   4.05899   4.06785
 Alpha virt. eigenvalues --    4.11306
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.125328  -0.104795  -0.169542  -0.233694   0.034394  -0.091094
     2  C   -0.104795   6.141481  -0.050989  -0.049503  -0.100316  -0.175538
     3  C   -0.169542  -0.050989   6.182134   0.045709  -0.225629  -0.051382
     4  C   -0.233694  -0.049503   0.045709   6.426155  -0.521741   0.153439
     5  O    0.034394  -0.100316  -0.225629  -0.521741   9.833237  -0.480676
     6  C   -0.091094  -0.175538  -0.051382   0.153439  -0.480676   5.539584
     7  O   -0.025478  -0.095872  -0.157575   0.023238   0.029232   0.010985
     8  H    0.363680  -0.068052  -0.019721  -0.088934   0.037343  -0.019491
     9  O   -0.079708  -0.058081  -0.033244  -0.010674   0.069764  -0.072170
    10  H    0.153528   0.290894  -0.060771  -0.003499  -0.058004   0.122062
    11  H    0.022321  -0.031937   0.346913   0.009057  -0.129539   0.040312
    12  O   -0.091775  -0.013487  -0.166917  -0.039504   0.064418  -0.012839
    13  C    0.032451  -0.020671  -0.200264   0.120811   0.009214  -0.000894
    14  H   -0.047188   0.010703   0.252374   0.253476  -0.084670  -0.044004
    15  O    0.016023  -0.012065  -0.013925  -0.031730  -0.016826  -0.129806
    16  H   -0.070400   0.166508   0.013423   0.032085  -0.050025   0.331102
    17  H    0.041304  -0.023581   0.056758   0.006880  -0.005435   0.008081
    18  H    0.038308   0.042366   0.004160   0.001854   0.001053  -0.005467
    19  H   -0.032978   0.009865   0.080235   0.030421  -0.000315   0.000217
    20  O    0.010773  -0.002732  -0.008767  -0.057494   0.051448  -0.003818
    21  H   -0.002394   0.001667   0.043137   0.037027   0.031237   0.001645
    22  H   -0.008732   0.004111   0.035176   0.110677  -0.077930  -0.003104
    23  H   -0.001789  -0.012744   0.000585  -0.010320   0.037315   0.071340
    24  H    0.001525   0.000186  -0.015652  -0.015392  -0.000428   0.001530
               7          8          9         10         11         12
     1  C   -0.025478   0.363680  -0.079708   0.153528   0.022321  -0.091775
     2  C   -0.095872  -0.068052  -0.058081   0.290894  -0.031937  -0.013487
     3  C   -0.157575  -0.019721  -0.033244  -0.060771   0.346913  -0.166917
     4  C    0.023238  -0.088934  -0.010674  -0.003499   0.009057  -0.039504
     5  O    0.029232   0.037343   0.069764  -0.058004  -0.129539   0.064418
     6  C    0.010985  -0.019491  -0.072170   0.122062   0.040312  -0.012839
     7  O    8.345125  -0.042493   0.054238  -0.051369  -0.105991   0.061892
     8  H   -0.042493   0.898101  -0.059485   0.028268   0.039646  -0.026864
     9  O    0.054238  -0.059485   8.355483  -0.075157  -0.005160   0.013146
    10  H   -0.051369   0.028268  -0.075157   0.827324  -0.013366  -0.003402
    11  H   -0.105991   0.039646  -0.005160  -0.013366   1.093614  -0.087463
    12  O    0.061892  -0.026864   0.013146  -0.003402  -0.087463   8.287702
    13  C    0.007599   0.002546   0.002934   0.001407  -0.054244   0.040174
    14  H    0.002184  -0.043906  -0.000439  -0.003983   0.041151  -0.045532
    15  O    0.001027   0.004207  -0.007887  -0.019899  -0.003616   0.001800
    16  H    0.004295  -0.028049  -0.053219   0.006902   0.001702  -0.002086
    17  H    0.202601   0.000658  -0.005204   0.000806   0.006319  -0.003823
    18  H   -0.000687   0.002753   0.198429  -0.006047   0.000219  -0.000242
    19  H   -0.003052   0.007677   0.000502   0.001120  -0.002872   0.206803
    20  O   -0.001269   0.001635   0.000255  -0.000163   0.013274  -0.019222
    21  H   -0.000148  -0.000167  -0.000070  -0.000062   0.001428  -0.002049
    22  H    0.001381  -0.000889  -0.000117  -0.000338  -0.025236  -0.004048
    23  H    0.000844   0.001614   0.009742  -0.016232   0.000749   0.000067
    24  H    0.000014  -0.000776  -0.000074   0.000098  -0.009530   0.067329
              13         14         15         16         17         18
     1  C    0.032451  -0.047188   0.016023  -0.070400   0.041304   0.038308
     2  C   -0.020671   0.010703  -0.012065   0.166508  -0.023581   0.042366
     3  C   -0.200264   0.252374  -0.013925   0.013423   0.056758   0.004160
     4  C    0.120811   0.253476  -0.031730   0.032085   0.006880   0.001854
     5  O    0.009214  -0.084670  -0.016826  -0.050025  -0.005435   0.001053
     6  C   -0.000894  -0.044004  -0.129806   0.331102   0.008081  -0.005467
     7  O    0.007599   0.002184   0.001027   0.004295   0.202601  -0.000687
     8  H    0.002546  -0.043906   0.004207  -0.028049   0.000658   0.002753
     9  O    0.002934  -0.000439  -0.007887  -0.053219  -0.005204   0.198429
    10  H    0.001407  -0.003983  -0.019899   0.006902   0.000806  -0.006047
    11  H   -0.054244   0.041151  -0.003616   0.001702   0.006319   0.000219
    12  O    0.040174  -0.045532   0.001800  -0.002086  -0.003823  -0.000242
    13  C    4.568172  -0.090207  -0.006184   0.000778  -0.000142   0.000024
    14  H   -0.090207   0.921672  -0.006463   0.032528   0.000027   0.000510
    15  O   -0.006184  -0.006463   8.615932  -0.070030  -0.000182  -0.000539
    16  H    0.000778   0.032528  -0.070030   0.887033   0.000355   0.000290
    17  H   -0.000142   0.000027  -0.000182   0.000355   0.558982   0.000551
    18  H    0.000024   0.000510  -0.000539   0.000290   0.000551   0.555911
    19  H   -0.004743  -0.003003  -0.000150   0.000071  -0.000452  -0.000040
    20  O    0.019297  -0.014076   0.000920  -0.000459  -0.000024  -0.000004
    21  H    0.230708   0.010461  -0.001531   0.001149  -0.000001   0.000002
    22  H    0.325184   0.014461  -0.001533   0.000813  -0.000002   0.000011
    23  H    0.000636  -0.000853   0.113444   0.004845  -0.000051   0.001455
    24  H    0.021004   0.007614  -0.000013   0.000177  -0.000010  -0.000001
              19         20         21         22         23         24
     1  C   -0.032978   0.010773  -0.002394  -0.008732  -0.001789   0.001525
     2  C    0.009865  -0.002732   0.001667   0.004111  -0.012744   0.000186
     3  C    0.080235  -0.008767   0.043137   0.035176   0.000585  -0.015652
     4  C    0.030421  -0.057494   0.037027   0.110677  -0.010320  -0.015392
     5  O   -0.000315   0.051448   0.031237  -0.077930   0.037315  -0.000428
     6  C    0.000217  -0.003818   0.001645  -0.003104   0.071340   0.001530
     7  O   -0.003052  -0.001269  -0.000148   0.001381   0.000844   0.000014
     8  H    0.007677   0.001635  -0.000167  -0.000889   0.001614  -0.000776
     9  O    0.000502   0.000255  -0.000070  -0.000117   0.009742  -0.000074
    10  H    0.001120  -0.000163  -0.000062  -0.000338  -0.016232   0.000098
    11  H   -0.002872   0.013274   0.001428  -0.025236   0.000749  -0.009530
    12  O    0.206803  -0.019222  -0.002049  -0.004048   0.000067   0.067329
    13  C   -0.004743   0.019297   0.230708   0.325184   0.000636   0.021004
    14  H   -0.003003  -0.014076   0.010461   0.014461  -0.000853   0.007614
    15  O   -0.000150   0.000920  -0.001531  -0.001533   0.113444  -0.000013
    16  H    0.000071  -0.000459   0.001149   0.000813   0.004845   0.000177
    17  H   -0.000452  -0.000024  -0.000001  -0.000002  -0.000051  -0.000010
    18  H   -0.000040  -0.000004   0.000002   0.000011   0.001455  -0.000001
    19  H    0.576929  -0.002160   0.000006   0.002127   0.000011  -0.006050
    20  O   -0.002160   8.190856  -0.002922  -0.016518   0.000011   0.279760
    21  H    0.000006  -0.002922   0.773985  -0.019451   0.000192   0.004111
    22  H    0.002127  -0.016518  -0.019451   0.727928  -0.000014   0.000166
    23  H    0.000011   0.000011   0.000192  -0.000014   0.610220   0.000002
    24  H   -0.006050   0.279760   0.004111   0.000166   0.000002   0.469075
 Mulliken charges:
               1
     1  C    0.119933
     2  C    0.152583
     3  C    0.113775
     4  C   -0.188344
     5  O   -0.447121
     6  C    0.809986
     7  O   -0.260720
     8  H    0.010701
     9  O   -0.243802
    10  H   -0.120117
    11  H   -0.147751
    12  O   -0.224077
    13  C    0.994412
    14  H   -0.162837
    15  O   -0.430974
    16  H   -0.209786
    17  H    0.155587
    18  H    0.165130
    19  H    0.139832
    20  O   -0.438600
    21  H   -0.107959
    22  H   -0.064121
    23  H    0.188933
    24  H    0.195338
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.130634
     2  C    0.032466
     3  C   -0.033976
     4  C   -0.351181
     5  O   -0.447121
     6  C    0.600200
     7  O   -0.105133
     9  O   -0.078672
    12  O   -0.084245
    13  C    0.822332
    15  O   -0.242042
    20  O   -0.243262
 Electronic spatial extent (au):  <R**2>=           2205.4766
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9393    Y=              0.9452    Z=              1.3797  Tot=              3.3818
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.8230   YY=            -72.5639   ZZ=            -69.5699
   XY=              2.6070   XZ=             -0.0608   YZ=             -3.0841
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.5041   YY=              1.7551   ZZ=              4.7490
   XY=              2.6070   XZ=             -0.0608   YZ=             -3.0841
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -70.2015  YYY=             23.5101  ZZZ=              2.3421  XYY=              5.6223
  XXY=             12.8088  XXZ=             19.1056  XZZ=             -5.8093  YZZ=             -7.1229
  YYZ=              3.4987  XYZ=              6.5479
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1767.7693 YYYY=           -866.6007 ZZZZ=           -141.6980 XXXY=             72.3183
 XXXZ=              4.7289 YYYX=            -18.2201 YYYZ=            -30.8927 ZZZX=             -4.4799
 ZZZY=             -6.1262 XXYY=           -396.3048 XXZZ=           -296.7155 YYZZ=           -167.8991
 XXYZ=            -17.0783 YYXZ=            -12.2857 ZZXY=             17.0320
 N-N= 8.278039507638D+02 E-N=-3.263623036712D+03  KE= 6.800668041488D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:45:25 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13522586D+00 3.98649781D-01 5.37424069D-01
 Polarizability= 1.05978568D+02 1.14144168D+00 9.45385685D+01
                -2.54044739D-01-1.48328991D+00 7.80443162D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1487    0.1487        0.5258    0.5244
 2     -0.1487   -0.1487        0.8113    0.8106       -5.5231   -5.5213
 3     -0.5258   -0.5244       13.7029   13.6972       -0.8110   -0.8106
 4     -0.8113   -0.8106       -0.0000    0.0000       -0.5267   -0.5244
 5     -8.1797   -8.1759        0.5267    0.5244        0.1480    0.1487
 6      0.8110    0.8106       -0.1480   -0.1487       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4460   -0.4460        1.5731    1.5731
 2     -2.4317   -2.4317       -0.0000    0.0000        1.5731    1.5731
 3     -2.4317   -2.4317       -0.4460   -0.4460       -0.0000    0.0000
 4     -0.4460   -0.4460        2.4317    2.4317      -16.5639  -16.5639
 5     -1.5731   -1.5731       41.0916   41.0916       -2.4317   -2.4317
 6    -24.5277  -24.5277        1.5731    1.5731        0.4460    0.4460
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0611    0.0000       -0.7556   -0.5946       -2.3651   -2.0974
 2      0.4756    0.5946       -3.1468   -3.2423       22.0607   22.0852
 3      2.0538    2.0974      -54.8089  -54.7888        3.0747    3.2423
 4      3.5536    3.2423       -0.0251    0.0000        2.1761    2.0974
 5     32.9182   32.7036       -1.9716   -2.0974       -0.5394   -0.5946
 6     -3.0954   -3.2423        0.3989    0.5946       -0.0497    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0420    0.0000        0.4671    0.4174        8.1369    8.0844
 2     -0.5588   -0.4174       -6.4579   -6.4287       -3.4051   -3.6405
 3     -8.1999   -8.0844        5.3037    5.8724        6.1559    6.4287
 4      6.3968    6.4287        0.0120    0.0000       -8.0761   -8.0844
 5     -1.7567   -2.2319        8.0410    8.0844        0.7150    0.4174
 6     -6.4772   -6.4287       -0.4459   -0.4174       -0.0662    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.8950  -17.8448        7.6936    7.5726      -20.9706  -21.0018
 2    -14.5403  -14.5198       10.6193   10.5018      -20.8750  -21.0018
 3    -14.5761  -14.5198        7.6741    7.5726      -28.0948  -28.1452
 4     -2.8191   -2.9292       -3.3332   -3.3249       -1.3303   -1.5751
 5     -7.3099   -7.1434        6.5327    7.1824        3.2540    3.3249
 6     -4.8367   -5.6072        7.2924    7.1434        3.2906    2.9292
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6732   -2.7070    0.0003    0.0006    0.0010    6.4737
 Low frequencies ---   67.8553  106.8782  118.5166
 Diagonal vibrational polarizability:
       65.1609274      43.8493010      55.7031364
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     67.8544               106.8782               118.5160
 Red. masses --      7.1080                 4.8062                 5.5030
 Frc consts  --      0.0193                 0.0323                 0.0455
 IR Inten    --      0.6705                 1.1044                 3.0340
 RamAct Fr= 1--      0.0302                 0.0355                 0.0124
  Dep-P Fr= 1--      0.7490                 0.7497                 0.4837
  Dep-U Fr= 1--      0.8565                 0.8570                 0.6521
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0043                 0.0051                 0.0013
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0002
 Gamma2 Fr= 1--      0.0055                 0.0613                -0.0253
 Delta2 Fr= 1--      0.0178                 0.0429                -0.0269
 Raman1 Fr= 1--       0.121                  0.142                  0.049
 ROA1   Fr= 1--       1.095                  7.261                 -3.289
 CID1   Fr= 1--       9.067                 51.086                -66.531
 Raman2 Fr= 1--       0.052                  0.061                  0.016
 ROA2   Fr= 1--      -0.011                  1.128                 -0.392
 CID2   Fr= 1--      -0.211                 18.525                -24.301
 Raman3 Fr= 1--       0.103                  0.122                  0.032
 ROA3   Fr= 1--       1.095                  7.261                 -3.289
 CID3   Fr= 1--      10.587                 59.613               -102.032
 RC180  Fr= 1--       0.713                  0.714                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.02     0.03  -0.03  -0.08     0.01   0.02   0.05
     2   6     0.03  -0.01   0.09     0.02   0.01  -0.00    -0.03   0.01  -0.08
     3   6     0.03   0.01  -0.14    -0.02  -0.06   0.02     0.03  -0.03  -0.07
     4   6     0.02  -0.02  -0.09    -0.00  -0.00  -0.11    -0.02  -0.03  -0.09
     5   8    -0.00  -0.02  -0.15     0.01  -0.05  -0.17    -0.01  -0.00  -0.01
     6   6    -0.02   0.03  -0.07    -0.05  -0.02   0.00    -0.03  -0.04   0.04
     7   8     0.03  -0.00  -0.00     0.04   0.02  -0.21     0.05  -0.06   0.27
     8   1    -0.13  -0.02  -0.02     0.07  -0.13  -0.09    -0.03   0.18   0.06
     9   8    -0.06   0.02   0.31    -0.01   0.02   0.08     0.05   0.02  -0.26
    10   1     0.20  -0.09   0.10     0.09   0.04   0.00    -0.17   0.05  -0.08
    11   1     0.13   0.09  -0.14    -0.13  -0.19   0.02     0.12  -0.03  -0.07
    12   8    -0.02  -0.01  -0.30     0.02   0.01   0.25    -0.02  -0.01  -0.15
    13   6    -0.05  -0.03   0.08    -0.01  -0.06  -0.15    -0.02  -0.06  -0.12
    14   1     0.11  -0.03  -0.08    -0.01   0.10  -0.11    -0.08  -0.03  -0.09
    15   8    -0.00  -0.00  -0.13    -0.01   0.02   0.19    -0.01   0.01   0.21
    16   1    -0.07   0.14  -0.07    -0.22  -0.07   0.00    -0.10  -0.15   0.04
    17   1    -0.01  -0.03   0.12     0.02  -0.02  -0.20     0.10   0.07   0.22
    18   1    -0.01  -0.02   0.30    -0.03   0.07   0.18    -0.03   0.10  -0.19
    19   1     0.01  -0.00  -0.27    -0.09  -0.01   0.21     0.03  -0.02  -0.05
    20   8     0.06   0.05   0.36     0.01   0.13   0.10    -0.00   0.14   0.15
    21   1     0.02  -0.01  -0.01     0.06  -0.00  -0.39     0.07  -0.00  -0.36
    22   1    -0.26  -0.14   0.09    -0.11  -0.33  -0.12    -0.14  -0.33  -0.09
    23   1     0.08  -0.13  -0.16     0.16   0.04   0.17     0.01   0.17   0.23
    24   1    -0.04   0.04   0.28    -0.06   0.11   0.27    -0.14   0.12   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    164.5387               209.8577               231.1682
 Red. masses --      4.6463                 3.1841                 3.0105
 Frc consts  --      0.0741                 0.0826                 0.0948
 IR Inten    --      6.7103                 3.2488                14.5537
 RamAct Fr= 1--      0.0861                 0.1333                 0.2125
  Dep-P Fr= 1--      0.4197                 0.6902                 0.7498
  Dep-U Fr= 1--      0.5913                 0.8167                 0.8570
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0085                 0.0181                 0.0304
 AlphaG Fr= 1--     -0.0005                -0.0013                 0.0001
 Gamma2 Fr= 1--     -0.0029                -0.0138                 0.0372
 Delta2 Fr= 1--     -0.0355                 0.0281                 0.0467
 Raman1 Fr= 1--       0.344                  0.533                  0.850
 ROA1   Fr= 1--      -1.414                 -0.420                  5.067
 CID1   Fr= 1--      -4.106                 -0.788                  5.960
 Raman2 Fr= 1--       0.102                  0.218                  0.364
 ROA2   Fr= 1--       0.215                 -0.555                  0.519
 CID2   Fr= 1--       2.109                 -2.550                  1.424
 Raman3 Fr= 1--       0.204                  0.435                  0.729
 ROA3   Fr= 1--      -1.414                 -0.420                  5.067
 CID3   Fr= 1--      -6.944                 -0.965                  6.954
 RC180  Fr= 1--       0.183                  0.633                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.02     0.01   0.00  -0.05     0.04  -0.05   0.01
     2   6    -0.00  -0.01   0.06     0.02   0.00  -0.04     0.03  -0.03  -0.02
     3   6     0.03  -0.07   0.04    -0.04  -0.07  -0.05     0.03  -0.00   0.03
     4   6    -0.03  -0.10   0.08     0.01  -0.06  -0.01    -0.00  -0.01   0.04
     5   8    -0.04  -0.03   0.21    -0.01  -0.10  -0.12    -0.02  -0.02  -0.01
     6   6     0.01  -0.00   0.05    -0.03  -0.02  -0.04    -0.04  -0.05  -0.03
     7   8     0.13   0.00  -0.08     0.12  -0.02   0.07    -0.16  -0.09  -0.03
     8   1     0.05  -0.14   0.02    -0.02   0.07  -0.04     0.08  -0.07   0.01
     9   8     0.03   0.02   0.03    -0.01  -0.02   0.01     0.10   0.25   0.00
    10   1    -0.02   0.00   0.06     0.06   0.00  -0.04     0.02  -0.06  -0.02
    11   1     0.06  -0.02   0.04    -0.09  -0.09  -0.05     0.05   0.04   0.03
    12   8    -0.00  -0.07  -0.03     0.01  -0.09   0.03     0.05  -0.04  -0.04
    13   6     0.05  -0.03  -0.08     0.03   0.17   0.17     0.01   0.03   0.04
    14   1    -0.16  -0.15   0.07     0.15  -0.10  -0.01     0.03   0.00   0.04
    15   8    -0.09  -0.00  -0.18    -0.08   0.06   0.05     0.01  -0.07   0.02
    16   1     0.19   0.07   0.05    -0.10  -0.05  -0.04    -0.05  -0.07  -0.03
    17   1     0.18   0.08  -0.16     0.15   0.11   0.09    -0.33  -0.42   0.21
    18   1     0.04  -0.02  -0.12     0.02  -0.04   0.04    -0.18   0.55   0.27
    19   1    -0.05  -0.06  -0.11     0.05  -0.09   0.09     0.13  -0.02  -0.00
    20   8    -0.10   0.29  -0.02    -0.05   0.11  -0.06    -0.04   0.06  -0.02
    21   1     0.21   0.03  -0.30     0.15   0.10   0.52     0.05   0.02   0.09
    22   1     0.09  -0.25  -0.07     0.03   0.54   0.14     0.04   0.08   0.04
    23   1    -0.34  -0.03  -0.15    -0.01   0.08   0.05     0.14  -0.13  -0.01
    24   1    -0.33   0.25   0.05    -0.10   0.12  -0.20    -0.09   0.06  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    248.9065               283.5834               296.9521
 Red. masses --      2.5540                 2.0853                 3.8093
 Frc consts  --      0.0932                 0.0988                 0.1979
 IR Inten    --      0.9732                24.0543                 4.7254
 RamAct Fr= 1--      0.5476                 0.3862                 0.5423
  Dep-P Fr= 1--      0.6686                 0.6762                 0.7027
  Dep-U Fr= 1--      0.8014                 0.8069                 0.8254
 Alpha2 Fr= 1--      0.0008                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0731                 0.0519                 0.0746
 AlphaG Fr= 1--     -0.0005                 0.0003                 0.0010
 Gamma2 Fr= 1--     -0.1889                 0.1824                -0.0049
 Delta2 Fr= 1--     -0.1808                 0.1661                 0.0679
 Raman1 Fr= 1--       2.190                  1.545                  2.169
 ROA1   Fr= 1--     -23.924                 22.830                  1.699
 CID1   Fr= 1--     -10.922                 14.777                  0.783
 Raman2 Fr= 1--       0.878                  0.623                  0.895
 ROA2   Fr= 1--      -3.089                  3.050                 -0.662
 CID2   Fr= 1--      -3.519                  4.894                 -0.739
 Raman3 Fr= 1--       1.755                  1.247                  1.791
 ROA3   Fr= 1--     -23.924                 22.830                  1.699
 CID3   Fr= 1--     -13.628                 18.314                  0.949
 RC180  Fr= 1--       0.603                  0.614                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.05    -0.01   0.08  -0.04    -0.01  -0.01  -0.18
     2   6    -0.08   0.01   0.05    -0.00   0.03  -0.03    -0.02  -0.01  -0.13
     3   6    -0.02  -0.03   0.01    -0.01   0.02  -0.02    -0.01  -0.03  -0.18
     4   6     0.00   0.00  -0.00    -0.05   0.01   0.00     0.01  -0.04  -0.08
     5   8    -0.01   0.02  -0.03    -0.02   0.03   0.04    -0.03   0.12   0.18
     6   6    -0.04   0.00   0.02     0.02   0.02  -0.01     0.00  -0.04  -0.03
     7   8     0.17   0.02  -0.01    -0.01   0.06   0.01     0.09  -0.10   0.06
     8   1    -0.04  -0.09   0.04    -0.02   0.11  -0.03    -0.08   0.13  -0.17
     9   8    -0.02   0.09  -0.06    -0.04  -0.07  -0.01    -0.09   0.07   0.08
    10   1    -0.16   0.01   0.04     0.02   0.05  -0.03     0.13   0.02  -0.12
    11   1     0.01  -0.05   0.02    -0.05   0.03  -0.02    -0.16  -0.13  -0.18
    12   8    -0.11   0.05  -0.00     0.13  -0.12   0.01    -0.00   0.09   0.10
    13   6    -0.01   0.01   0.03    -0.06  -0.00  -0.02     0.00   0.00  -0.01
    14   1     0.03   0.01  -0.00    -0.07  -0.02   0.00    -0.05  -0.25  -0.09
    15   8     0.11  -0.13  -0.00     0.07  -0.03  -0.00     0.04  -0.07  -0.02
    16   1    -0.07   0.07   0.02     0.04   0.03  -0.01     0.14  -0.18  -0.02
    17   1     0.30   0.26  -0.19    -0.05   0.02   0.12    -0.01  -0.10   0.38
    18   1    -0.18   0.28   0.14    -0.04  -0.02   0.26    -0.13   0.14   0.23
    19   1    -0.30   0.03  -0.15     0.38  -0.08   0.18    -0.04   0.02   0.34
    20   8    -0.02  -0.03  -0.01    -0.07   0.03   0.01     0.03  -0.02   0.01
    21   1    -0.01  -0.01   0.09    -0.06   0.01  -0.05     0.03  -0.01   0.06
    22   1    -0.01   0.07   0.03    -0.07  -0.04  -0.01    -0.06   0.07  -0.02
    23   1     0.44  -0.43  -0.10     0.58  -0.48  -0.14    -0.24   0.22   0.07
    24   1     0.01  -0.02  -0.03    -0.13   0.02  -0.01     0.09  -0.02   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    330.3392               337.7996               372.3144
 Red. masses --      1.9277                 5.5535                 1.3552
 Frc consts  --      0.1239                 0.3734                 0.1107
 IR Inten    --     56.4263                 3.4468                80.4127
 RamAct Fr= 1--      0.4411                 3.9167                 0.9618
  Dep-P Fr= 1--      0.1431                 0.3849                 0.5074
  Dep-U Fr= 1--      0.2504                 0.5559                 0.6732
 Alpha2 Fr= 1--      0.0069                 0.0306                 0.0046
 Beta2  Fr= 1--      0.0184                 0.3629                 0.1079
 AlphaG Fr= 1--     -0.0096                -0.0099                 0.0028
 Gamma2 Fr= 1--      0.1532                 0.0722                 0.0313
 Delta2 Fr= 1--      0.1782                 0.2355                 0.1969
 Raman1 Fr= 1--       1.764                 15.667                  3.847
 ROA1   Fr= 1--      20.408                 14.470                  9.310
 CID1   Fr= 1--      11.568                  0.924                  2.420
 Raman2 Fr= 1--       0.221                  4.355                  1.295
 ROA2   Fr= 1--       2.251                 -0.150                 -0.823
 CID2   Fr= 1--      10.187                 -0.034                 -0.636
 Raman3 Fr= 1--       0.442                  8.709                  2.590
 ROA3   Fr= 1--      20.408                 14.470                  9.310
 CID3   Fr= 1--      46.189                  1.661                  3.595
 RC180  Fr= 1--      -0.499                  0.112                  0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.03    -0.11  -0.02   0.04    -0.01  -0.01   0.03
     2   6     0.04   0.01  -0.02    -0.17   0.05   0.07    -0.01   0.01   0.07
     3   6     0.00  -0.01  -0.01    -0.07  -0.09  -0.01    -0.01  -0.02  -0.01
     4   6     0.03  -0.04   0.02     0.05  -0.02  -0.04    -0.01   0.00  -0.04
     5   8    -0.00  -0.03   0.03     0.00   0.02   0.04     0.01  -0.00  -0.02
     6   6     0.02   0.03  -0.01    -0.06   0.07   0.07     0.00   0.02   0.05
     7   8     0.01  -0.03  -0.00    -0.06   0.02  -0.03     0.06   0.04  -0.06
     8   1     0.03   0.00  -0.03    -0.15  -0.07   0.03    -0.06  -0.07   0.02
     9   8     0.03  -0.06  -0.03    -0.14   0.05  -0.06     0.02  -0.00  -0.03
    10   1     0.05   0.01  -0.02    -0.27   0.10   0.06    -0.08   0.03   0.07
    11   1    -0.01  -0.00  -0.01    -0.06  -0.14  -0.01     0.02  -0.05  -0.01
    12   8    -0.08   0.09   0.01     0.00  -0.19   0.00    -0.02   0.00   0.00
    13   6     0.04  -0.04   0.01     0.22   0.08  -0.07    -0.03   0.01   0.00
    14   1     0.02  -0.07   0.03    -0.02  -0.03  -0.04    -0.01  -0.01  -0.04
    15   8    -0.10   0.14   0.00    -0.07   0.04  -0.03     0.03  -0.02  -0.01
    16   1     0.06   0.04  -0.01    -0.03   0.16   0.07    -0.03   0.09   0.05
    17   1    -0.16  -0.23   0.35    -0.11  -0.04   0.07    -0.30  -0.37   0.73
    18   1    -0.04   0.09   0.40    -0.23   0.17   0.13     0.08  -0.12  -0.32
    19   1    -0.26   0.06  -0.12     0.19  -0.16   0.13     0.05  -0.01   0.15
    20   8     0.01  -0.01  -0.01     0.35   0.02   0.02    -0.02  -0.01   0.01
    21   1     0.05  -0.04  -0.03     0.24   0.08  -0.05    -0.03   0.00   0.05
    22   1     0.07  -0.07   0.01     0.19   0.10  -0.08    -0.07   0.06  -0.00
    23   1     0.48  -0.43  -0.17     0.03  -0.18  -0.08    -0.10   0.03   0.02
    24   1     0.02  -0.01   0.04     0.37   0.02  -0.01    -0.03  -0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    393.1700               398.2934               404.0285
 Red. masses --      2.8965                 1.4087                 1.2721
 Frc consts  --      0.2638                 0.1317                 0.1224
 IR Inten    --      0.9543                80.3503               176.2038
 RamAct Fr= 1--      0.5519                 0.8761                 0.9127
  Dep-P Fr= 1--      0.6388                 0.7297                 0.5610
  Dep-U Fr= 1--      0.7796                 0.8437                 0.7188
 Alpha2 Fr= 1--      0.0011                 0.0003                 0.0033
 Beta2  Fr= 1--      0.0717                 0.1232                 0.1093
 AlphaG Fr= 1--      0.0031                 0.0008                 0.0022
 Gamma2 Fr= 1--      0.5629                -0.4964                -0.2543
 Delta2 Fr= 1--      0.2163                -0.5284                -0.2548
 Raman1 Fr= 1--       2.208                  3.504                  3.651
 ROA1   Fr= 1--      60.964                -64.567                -32.570
 CID1   Fr= 1--      27.615                -18.425                 -8.921
 Raman2 Fr= 1--       0.861                  1.478                  1.312
 ROA2   Fr= 1--      11.780                 -7.687                 -4.066
 CID2   Fr= 1--      13.689                 -5.200                 -3.099
 Raman3 Fr= 1--       1.721                  2.957                  2.624
 ROA3   Fr= 1--      60.964                -64.567                -32.570
 CID3   Fr= 1--      35.421                -21.838                -12.412
 RC180  Fr= 1--       0.559                  0.687                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.02  -0.05   0.01    -0.01   0.02   0.02
     2   6     0.06  -0.01   0.14    -0.03   0.00   0.00     0.00  -0.01  -0.00
     3   6     0.01  -0.00  -0.13     0.04  -0.00   0.01    -0.02   0.01   0.03
     4   6    -0.05  -0.02  -0.16     0.05  -0.01   0.03     0.00   0.01   0.03
     5   8     0.02  -0.04   0.04    -0.02   0.04  -0.02     0.03  -0.03  -0.02
     6   6    -0.01  -0.01   0.13    -0.03   0.03  -0.01     0.02  -0.02  -0.00
     7   8    -0.06  -0.01   0.01    -0.01  -0.06  -0.01     0.03   0.05  -0.02
     8   1    -0.15  -0.03   0.01     0.05  -0.07   0.01     0.02   0.00   0.02
     9   8     0.15  -0.02  -0.04    -0.03   0.01   0.01     0.01  -0.05  -0.04
    10   1    -0.00   0.09   0.14    -0.03  -0.01   0.00    -0.01  -0.00  -0.00
    11   1     0.04  -0.16  -0.13     0.08   0.02   0.00     0.01   0.04   0.03
    12   8     0.03   0.07   0.04    -0.02   0.06  -0.05    -0.05   0.01  -0.04
    13   6    -0.08   0.09  -0.03     0.04  -0.04   0.03     0.00  -0.02   0.00
    14   1    -0.13  -0.14  -0.17     0.09  -0.02   0.03     0.02   0.05   0.03
    15   8    -0.09  -0.02  -0.05    -0.02   0.02   0.02     0.01  -0.01  -0.02
    16   1    -0.01   0.11   0.12    -0.05   0.03  -0.01     0.01  -0.01  -0.00
    17   1     0.12   0.16  -0.41     0.06   0.01  -0.17     0.00   0.03   0.05
    18   1     0.04   0.12   0.10     0.08  -0.16  -0.32    -0.20   0.28   0.64
    19   1     0.10   0.01   0.37     0.33  -0.02   0.76     0.21  -0.02   0.46
    20   8     0.01  -0.02   0.03    -0.01   0.01  -0.01    -0.01  -0.01  -0.00
    21   1    -0.04   0.04   0.17     0.05  -0.04   0.01    -0.02  -0.01  -0.04
    22   1    -0.23   0.27  -0.04     0.07  -0.05   0.03     0.03  -0.06   0.01
    23   1    -0.07  -0.30  -0.10     0.21  -0.14  -0.04    -0.30   0.27   0.07
    24   1     0.10  -0.01   0.03    -0.09   0.00  -0.06    -0.06  -0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.9287               446.3458               478.9638
 Red. masses --      5.0904                 3.3305                 4.6820
 Frc consts  --      0.5314                 0.3909                 0.6328
 IR Inten    --      7.6571                21.1170                 4.8787
 RamAct Fr= 1--      4.8740                 3.1521                 8.7457
  Dep-P Fr= 1--      0.4414                 0.3105                 0.0756
  Dep-U Fr= 1--      0.6125                 0.4739                 0.1406
 Alpha2 Fr= 1--      0.0309                 0.0313                 0.1625
 Beta2  Fr= 1--      0.4975                 0.2489                 0.2050
 AlphaG Fr= 1--      0.0007                 0.0063                -0.0128
 Gamma2 Fr= 1--      0.5224                -0.5684                -0.1341
 Delta2 Fr= 1--      0.1486                -0.1709                -0.2308
 Raman1 Fr= 1--      19.496                 12.608                 34.983
 ROA1   Fr= 1--      54.906                -60.040                -20.256
 CID1   Fr= 1--       2.816                 -4.762                 -0.579
 Raman2 Fr= 1--       5.970                  2.987                  2.460
 ROA2   Fr= 1--      11.349                -12.275                 -1.372
 CID2   Fr= 1--       1.901                 -4.109                 -0.558
 Raman3 Fr= 1--      11.941                  5.974                  4.919
 ROA3   Fr= 1--      54.906                -60.040                -20.256
 CID3   Fr= 1--       4.598                -10.049                 -4.118
 RC180  Fr= 1--       0.225                 -0.052                 -0.719
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.08   0.05     0.00  -0.10   0.04    -0.04   0.13  -0.03
     2   6    -0.06  -0.09   0.01    -0.07   0.03   0.09    -0.05   0.08   0.04
     3   6     0.15   0.12   0.07     0.08  -0.07  -0.04     0.07   0.04  -0.13
     4   6    -0.00   0.13   0.02     0.07  -0.04  -0.07     0.10  -0.17   0.04
     5   8    -0.09   0.11  -0.04     0.01   0.14  -0.04    -0.00  -0.15  -0.06
     6   6    -0.17  -0.08  -0.01     0.01   0.16   0.04    -0.06  -0.02   0.08
     7   8     0.11  -0.06  -0.03    -0.06  -0.12  -0.01    -0.09   0.16   0.04
     8   1     0.11  -0.13   0.05    -0.05  -0.16   0.03    -0.17   0.19  -0.03
     9   8    -0.07  -0.12  -0.04    -0.05  -0.07  -0.06    -0.08   0.02  -0.03
    10   1    -0.10  -0.10   0.00    -0.14   0.10   0.09    -0.08   0.21   0.04
    11   1     0.21   0.20   0.06     0.12  -0.16  -0.04     0.03   0.05  -0.13
    12   8     0.21   0.11  -0.01     0.07  -0.02   0.04     0.12   0.15   0.03
    13   6    -0.00   0.08  -0.00    -0.01  -0.05   0.06     0.14  -0.17   0.10
    14   1    -0.00   0.21   0.03     0.15  -0.09  -0.07     0.25  -0.29   0.04
    15   8    -0.20  -0.12  -0.00     0.12   0.10  -0.02    -0.01  -0.13  -0.02
    16   1    -0.25  -0.10  -0.01    -0.03   0.29   0.03    -0.13   0.06   0.08
    17   1     0.01  -0.16   0.22    -0.02  -0.14  -0.15    -0.12   0.09   0.05
    18   1    -0.14   0.02   0.33    -0.15   0.12   0.39    -0.05  -0.01  -0.04
    19   1     0.11   0.15  -0.28    -0.14  -0.00  -0.31    -0.11   0.12  -0.16
    20   8     0.05   0.02  -0.01    -0.11   0.02  -0.01    -0.04   0.03  -0.05
    21   1    -0.04   0.07   0.01     0.05  -0.07   0.14     0.26  -0.15   0.04
    22   1     0.01   0.10  -0.01    -0.05   0.04   0.05     0.25  -0.19   0.10
    23   1    -0.20  -0.16  -0.01    -0.14   0.34   0.05    -0.20  -0.07   0.02
    24   1     0.17   0.03   0.08    -0.23   0.01  -0.12    -0.04   0.01   0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    500.6743               551.3522               598.3011
 Red. masses --      1.1298                 3.0665                 5.0855
 Frc consts  --      0.1669                 0.5492                 1.0726
 IR Inten    --    134.8776                32.3786                 2.8241
 RamAct Fr= 1--      0.9414                 0.6614                 0.6820
  Dep-P Fr= 1--      0.4704                 0.1896                 0.2467
  Dep-U Fr= 1--      0.6399                 0.3188                 0.3957
 Alpha2 Fr= 1--      0.0053                 0.0092                 0.0082
 Beta2  Fr= 1--      0.1004                 0.0351                 0.0450
 AlphaG Fr= 1--      0.0022                 0.0058                 0.0093
 Gamma2 Fr= 1--     -0.6664                -0.0213                -0.0925
 Delta2 Fr= 1--     -0.5246                 0.0366                -0.0848
 Raman1 Fr= 1--       3.766                  2.645                  2.728
 ROA1   Fr= 1--     -80.764                 -0.870                -11.598
 CID1   Fr= 1--     -21.447                 -0.329                 -4.252
 Raman2 Fr= 1--       1.205                  0.422                  0.540
 ROA2   Fr= 1--     -11.798                 -0.803                 -1.543
 CID2   Fr= 1--      -9.793                 -1.904                 -2.858
 Raman3 Fr= 1--       2.410                  0.843                  1.079
 ROA3   Fr= 1--     -80.764                 -0.870                -11.598
 CID3   Fr= 1--     -33.519                 -1.032                -10.744
 RC180  Fr= 1--       0.280                 -0.362                 -0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.05   0.02   0.20    -0.13  -0.07   0.07
     2   6    -0.00   0.00   0.01    -0.01  -0.06  -0.08    -0.14  -0.11   0.00
     3   6    -0.01  -0.01  -0.00     0.11  -0.09   0.04     0.00   0.06  -0.04
     4   6    -0.00   0.01   0.01    -0.01  -0.11  -0.13     0.07   0.08  -0.03
     5   8     0.00   0.00  -0.01    -0.05   0.03   0.07     0.25  -0.13   0.03
     6   6     0.01   0.02   0.00     0.02  -0.05  -0.14     0.19  -0.11   0.02
     7   8     0.01  -0.02  -0.00    -0.05   0.16  -0.04     0.04  -0.03  -0.03
     8   1    -0.01  -0.03  -0.00     0.18   0.01   0.20    -0.27  -0.16   0.05
     9   8     0.00  -0.00  -0.00    -0.05  -0.01   0.02    -0.17   0.12  -0.01
    10   1    -0.01   0.00   0.01    -0.07  -0.34  -0.09    -0.29  -0.28  -0.02
    11   1    -0.01   0.01   0.00     0.35  -0.31   0.03     0.03   0.09  -0.04
    12   8    -0.01  -0.03  -0.02    -0.01   0.03  -0.01     0.13   0.05   0.01
    13   6    -0.01   0.02   0.01    -0.01   0.02  -0.01    -0.07   0.02  -0.02
    14   1     0.03   0.02   0.02    -0.10  -0.20  -0.13     0.04   0.08  -0.03
    15   8     0.02   0.01  -0.00     0.01   0.03   0.03    -0.07   0.14   0.01
    16   1     0.00   0.03   0.00     0.10  -0.20  -0.13     0.34  -0.17   0.02
    17   1     0.01  -0.01  -0.00    -0.10  -0.05  -0.08     0.06   0.08   0.04
    18   1    -0.00   0.01   0.01    -0.03  -0.02   0.03    -0.27   0.18  -0.16
    19   1     0.03  -0.04   0.07    -0.11  -0.02   0.06     0.16   0.07  -0.04
    20   8    -0.04   0.01  -0.05     0.00   0.00   0.00    -0.09  -0.03   0.01
    21   1    -0.00   0.02   0.01     0.13  -0.03   0.25    -0.16   0.02  -0.06
    22   1     0.03   0.02   0.01    -0.15   0.26  -0.02    -0.12  -0.04  -0.01
    23   1     0.00   0.03   0.00     0.16   0.13   0.03     0.09  -0.14  -0.06
    24   1     0.45   0.02   0.88     0.09   0.01   0.13    -0.08  -0.02  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    619.9599               665.9491               899.6210
 Red. masses --      3.4356                 4.9112                 1.7753
 Frc consts  --      0.7780                 1.2833                 0.8465
 IR Inten    --      7.7947                19.4019                 8.6701
 RamAct Fr= 1--      0.1566                 0.3727                 1.9352
  Dep-P Fr= 1--      0.7223                 0.6419                 0.2652
  Dep-U Fr= 1--      0.8388                 0.7819                 0.4192
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0220
 Beta2  Fr= 1--      0.0219                 0.0486                 0.1352
 AlphaG Fr= 1--      0.0006                 0.0016                 0.0022
 Gamma2 Fr= 1--      0.0919                -0.2404                 0.2524
 Delta2 Fr= 1--      0.0452                -0.1129                 0.1963
 Raman1 Fr= 1--       0.626                  1.491                  7.741
 ROA1   Fr= 1--      10.270                -26.690                 30.513
 CID1   Fr= 1--      16.396                -17.902                  3.942
 Raman2 Fr= 1--       0.263                  0.583                  1.623
 ROA2   Fr= 1--       1.844                 -4.866                  4.488
 CID2   Fr= 1--       7.019                 -8.349                  2.766
 Raman3 Fr= 1--       0.525                  1.166                  3.245
 ROA3   Fr= 1--      10.270                -26.690                 30.513
 CID3   Fr= 1--      19.548                -22.895                  9.402
 RC180  Fr= 1--       0.678                  0.564                 -0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17  -0.02   0.04     0.05   0.05  -0.02    -0.06   0.01  -0.03
     2   6    -0.00  -0.17   0.08     0.03   0.04  -0.07    -0.01  -0.01  -0.01
     3   6    -0.09   0.03  -0.13     0.01  -0.08   0.04    -0.05   0.09   0.12
     4   6     0.05   0.02   0.03     0.19   0.10  -0.11    -0.03  -0.04  -0.09
     5   8    -0.05   0.15  -0.00     0.19   0.22  -0.03    -0.00   0.02  -0.01
     6   6    -0.02  -0.03  -0.13     0.04  -0.07   0.11     0.03  -0.01   0.03
     7   8     0.02   0.08  -0.01    -0.04   0.08   0.02     0.02  -0.03  -0.01
     8   1    -0.52  -0.08   0.03     0.22   0.15  -0.00     0.01  -0.02  -0.03
     9   8     0.17  -0.02   0.00    -0.01   0.01   0.02     0.02   0.00   0.01
    10   1    -0.03  -0.45   0.07     0.09   0.16  -0.06     0.02   0.01  -0.01
    11   1    -0.19   0.04  -0.12     0.02  -0.25   0.04    -0.09   0.19   0.12
    12   8     0.02  -0.04   0.04    -0.12  -0.13  -0.00     0.00   0.01  -0.01
    13   6     0.08  -0.08   0.06     0.03  -0.06   0.06     0.07  -0.13  -0.04
    14   1     0.20  -0.08   0.03     0.36   0.16  -0.10    -0.25   0.16  -0.09
    15   8    -0.03   0.03   0.03    -0.19  -0.10  -0.01     0.00   0.01  -0.00
    16   1    -0.04  -0.08  -0.12     0.00  -0.20   0.11     0.04  -0.01   0.03
    17   1     0.03   0.19   0.07    -0.05  -0.01  -0.04     0.04   0.12   0.08
    18   1    -0.02   0.13  -0.10     0.05  -0.04   0.04    -0.02   0.03  -0.01
    19   1     0.07  -0.01  -0.04    -0.07  -0.11  -0.04     0.21   0.10  -0.10
    20   8    -0.00   0.01  -0.02    -0.10  -0.01  -0.01     0.01   0.01   0.00
    21   1     0.04  -0.05  -0.09    -0.02  -0.06   0.04     0.33  -0.24   0.50
    22   1     0.18  -0.19   0.06    -0.01  -0.07   0.06    -0.14   0.40  -0.08
    23   1     0.10   0.14   0.03    -0.26  -0.43  -0.05    -0.04  -0.05  -0.01
    24   1    -0.09  -0.00   0.02    -0.15  -0.02   0.09    -0.20  -0.03   0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    997.7057              1010.3726              1023.4088
 Red. masses --      3.9671                 3.8869                 3.7461
 Frc consts  --      2.3266                 2.3379                 2.3117
 IR Inten    --    129.1611                41.2653                19.3072
 RamAct Fr= 1--      0.0965                 1.7337                 0.8635
  Dep-P Fr= 1--      0.7465                 0.3386                 0.5553
  Dep-U Fr= 1--      0.8548                 0.5059                 0.7141
 Alpha2 Fr= 1--      0.0000                 0.0158                 0.0032
 Beta2  Fr= 1--      0.0137                 0.1462                 0.1028
 AlphaG Fr= 1--      0.0000                 0.0181                -0.0085
 Gamma2 Fr= 1--     -0.2456                 0.0896                 0.1751
 Delta2 Fr= 1--     -0.2428                 0.1638                 0.0971
 Raman1 Fr= 1--       0.386                  6.935                  3.454
 ROA1   Fr= 1--     -31.349                 13.849                 19.913
 CID1   Fr= 1--     -81.246                  1.997                  5.765
 Raman2 Fr= 1--       0.165                  1.754                  1.233
 ROA2   Fr= 1--      -3.953                  0.841                  3.425
 CID2   Fr= 1--     -23.967                  0.479                  2.777
 Raman3 Fr= 1--       0.330                  3.509                  2.466
 ROA3   Fr= 1--     -31.349                 13.849                 19.913
 CID3   Fr= 1--     -95.042                  3.947                  8.074
 RC180  Fr= 1--       0.710                  0.012                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.09   0.16    -0.10  -0.06  -0.17     0.24   0.01  -0.09
     2   6     0.07   0.23   0.09    -0.08   0.04   0.05     0.05  -0.16   0.17
     3   6    -0.07   0.11  -0.04     0.10  -0.11   0.13     0.05   0.15  -0.09
     4   6     0.06   0.04  -0.08     0.18   0.02   0.02     0.03   0.04  -0.01
     5   8     0.04  -0.06   0.09     0.08  -0.07   0.10     0.05  -0.04   0.05
     6   6    -0.00   0.01  -0.21    -0.15   0.06  -0.14    -0.11  -0.02  -0.05
     7   8     0.03  -0.14  -0.06    -0.04   0.06   0.03    -0.00   0.07   0.06
     8   1    -0.15  -0.10   0.13    -0.13  -0.04  -0.16     0.11   0.07  -0.08
     9   8    -0.03   0.01  -0.04     0.08  -0.03   0.02    -0.11   0.00  -0.05
    10   1    -0.06   0.12   0.08     0.09   0.16   0.07    -0.00  -0.18   0.15
    11   1    -0.02  -0.01  -0.04     0.04   0.01   0.13    -0.25   0.24  -0.08
    12   8    -0.04  -0.03   0.03     0.03   0.02  -0.03    -0.12  -0.09   0.05
    13   6     0.04  -0.02   0.02    -0.01   0.06  -0.13     0.01  -0.04  -0.03
    14   1     0.07  -0.11  -0.08     0.06   0.24   0.03    -0.05   0.03  -0.01
    15   8    -0.08  -0.12   0.03    -0.03  -0.04   0.00     0.02   0.04  -0.01
    16   1     0.07  -0.03  -0.20    -0.11   0.17  -0.13    -0.12   0.19  -0.05
    17   1     0.04  -0.13  -0.06    -0.01   0.32   0.20    -0.05  -0.37  -0.25
    18   1     0.36  -0.28   0.24    -0.04   0.06  -0.07    -0.29   0.14  -0.18
    19   1     0.27   0.11  -0.15    -0.15  -0.06   0.07     0.11   0.01  -0.05
    20   8    -0.02  -0.01   0.00    -0.07  -0.03   0.04    -0.00   0.00   0.01
    21   1    -0.01  -0.02  -0.01    -0.02   0.01   0.11     0.02  -0.08   0.16
    22   1     0.01  -0.04   0.02    -0.20   0.25  -0.13    -0.06   0.16  -0.05
    23   1     0.28   0.35   0.06     0.31   0.35   0.03     0.18   0.20  -0.01
    24   1    -0.08  -0.02   0.04     0.02  -0.02  -0.00    -0.11  -0.02   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1049.4672              1079.6879              1090.3917
 Red. masses --      3.1765                 4.5624                 4.2117
 Frc consts  --      2.0613                 3.1336                 2.9504
 IR Inten    --     30.8342                 7.9353               209.5780
 RamAct Fr= 1--      1.3358                 1.8265                 5.0124
  Dep-P Fr= 1--      0.5692                 0.3532                 0.3674
  Dep-U Fr= 1--      0.7255                 0.5220                 0.5374
 Alpha2 Fr= 1--      0.0046                 0.0159                 0.0416
 Beta2  Fr= 1--      0.1615                 0.1589                 0.4489
 AlphaG Fr= 1--     -0.0146                -0.0061                 0.0295
 Gamma2 Fr= 1--      1.5481                -0.7557                 1.3426
 Delta2 Fr= 1--      1.3085                -0.2727                 0.4816
 Raman1 Fr= 1--       5.343                  7.306                 20.050
 ROA1   Fr= 1--     190.486                -81.272                144.304
 CID1   Fr= 1--      35.651                -11.124                  7.197
 Raman2 Fr= 1--       1.938                  1.907                  5.387
 ROA2   Fr= 1--      26.686                -15.955                 28.370
 CID2   Fr= 1--      13.769                 -8.367                  5.266
 Raman3 Fr= 1--       3.876                  3.814                 10.775
 ROA3   Fr= 1--     190.486                -81.272                144.304
 CID3   Fr= 1--      49.143                -21.310                 13.393
 RC180  Fr= 1--       0.451                  0.044                  0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.08   0.07   0.02     0.06   0.12  -0.05
     2   6     0.06   0.09   0.12    -0.04  -0.03   0.03    -0.14  -0.01   0.07
     3   6     0.11  -0.07  -0.06    -0.17  -0.05   0.01    -0.11  -0.06   0.07
     4   6    -0.12  -0.06   0.18    -0.12  -0.15   0.05    -0.10  -0.11  -0.00
     5   8     0.04   0.11  -0.08     0.13   0.10  -0.04     0.17   0.06   0.00
     6   6     0.15  -0.05  -0.08    -0.03   0.04  -0.03    -0.03   0.03  -0.08
     7   8    -0.02   0.02   0.02     0.02  -0.02  -0.00     0.01  -0.04  -0.01
     8   1    -0.37  -0.11  -0.05     0.24   0.11   0.03     0.41   0.16  -0.04
     9   8    -0.06   0.03  -0.05     0.01  -0.02   0.01     0.06  -0.04   0.03
    10   1     0.01   0.09   0.11    -0.08  -0.11   0.02    -0.10   0.02   0.08
    11   1    -0.01   0.20  -0.05    -0.24   0.05   0.00    -0.10  -0.14   0.06
    12   8     0.01  -0.01   0.00     0.06   0.07  -0.03     0.05   0.06  -0.04
    13   6    -0.05  -0.04  -0.08     0.24   0.16  -0.11    -0.20  -0.09   0.12
    14   1    -0.25   0.15   0.17    -0.24  -0.12   0.03     0.12  -0.21   0.00
    15   8    -0.07  -0.05   0.03    -0.03  -0.02   0.01    -0.06  -0.03   0.01
    16   1     0.20  -0.12  -0.08     0.00   0.06  -0.03     0.13   0.12  -0.07
    17   1    -0.03  -0.03  -0.02    -0.01  -0.23  -0.13     0.00  -0.08  -0.03
    18   1     0.12  -0.11   0.10    -0.12   0.08  -0.09    -0.27   0.21  -0.21
    19   1    -0.38  -0.18   0.20     0.05   0.06  -0.03     0.06   0.07  -0.05
    20   8     0.04   0.02   0.01    -0.18  -0.13   0.11     0.16   0.09  -0.10
    21   1     0.05  -0.10   0.25     0.43   0.18  -0.18    -0.25  -0.06  -0.02
    22   1    -0.04   0.29  -0.10     0.24  -0.05  -0.07    -0.13  -0.17   0.11
    23   1     0.02   0.03   0.03     0.02   0.02   0.01     0.21   0.21   0.02
    24   1    -0.03   0.01   0.03     0.21  -0.06  -0.13    -0.05   0.05   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1099.2875              1104.1177              1114.2679
 Red. masses --      3.2079                 3.5397                 2.5867
 Frc consts  --      2.2840                 2.5424                 1.8922
 IR Inten    --    190.0371                94.1782                66.7533
 RamAct Fr= 1--      4.9693                 1.6910                 6.6939
  Dep-P Fr= 1--      0.1130                 0.4467                 0.6985
  Dep-U Fr= 1--      0.2031                 0.6176                 0.8225
 Alpha2 Fr= 1--      0.0843                 0.0105                 0.0060
 Beta2  Fr= 1--      0.1682                 0.1741                 0.9176
 AlphaG Fr= 1--     -0.0230                 0.0186                -0.0001
 Gamma2 Fr= 1--     -0.9782                -1.0078                 2.1233
 Delta2 Fr= 1--     -0.5792                -0.5576                 0.5277
 Raman1 Fr= 1--      19.877                  6.764                 26.776
 ROA1   Fr= 1--    -112.446               -114.593                220.721
 CID1   Fr= 1--      -5.657                -16.941                  8.243
 Raman2 Fr= 1--       2.018                  2.089                 11.011
 ROA2   Fr= 1--     -18.844                -19.727                 46.737
 CID2   Fr= 1--      -9.337                 -9.445                  4.245
 Raman3 Fr= 1--       4.036                  4.177                 22.022
 ROA3   Fr= 1--    -112.446               -114.593                220.721
 CID3   Fr= 1--     -27.859                -27.433                 10.023
 RC180  Fr= 1--      -0.594                  0.235                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.14    -0.08   0.14   0.03    -0.04   0.23   0.00
     2   6     0.06  -0.05   0.18     0.02  -0.06  -0.07     0.01  -0.06   0.04
     3   6     0.03   0.02   0.15     0.19   0.16   0.01     0.08  -0.09  -0.03
     4   6     0.03  -0.04  -0.12     0.03  -0.18   0.07    -0.06   0.16   0.00
     5   8    -0.14   0.02  -0.02     0.07   0.03  -0.03    -0.01  -0.04   0.02
     6   6     0.18  -0.07  -0.03    -0.03   0.13   0.04    -0.02  -0.00   0.01
     7   8    -0.01  -0.01   0.01     0.01  -0.09  -0.06     0.01  -0.11  -0.06
     8   1     0.10  -0.05  -0.14    -0.17   0.14   0.01    -0.03   0.31  -0.00
     9   8    -0.07   0.02  -0.05     0.01  -0.00   0.01    -0.01  -0.02  -0.00
    10   1     0.17   0.12   0.18     0.01  -0.30  -0.08     0.04  -0.14   0.04
    11   1     0.08  -0.12   0.15     0.26   0.22   0.03     0.27  -0.28  -0.03
    12   8    -0.01   0.00  -0.02    -0.11  -0.08   0.06     0.01  -0.01  -0.01
    13   6     0.02   0.07   0.08    -0.09   0.06  -0.07     0.09  -0.04   0.03
    14   1     0.07  -0.14  -0.11     0.14  -0.39   0.07    -0.25   0.32   0.00
    15   8    -0.03  -0.01   0.02    -0.02  -0.04   0.02     0.01   0.01  -0.00
    16   1     0.21   0.05  -0.04    -0.07   0.11   0.04    -0.01   0.05   0.01
    17   1     0.03   0.25   0.14     0.05   0.32   0.20     0.03   0.09   0.07
    18   1    -0.20   0.12  -0.11    -0.11   0.08  -0.07    -0.24   0.16  -0.16
    19   1     0.10   0.04  -0.04     0.09   0.00  -0.04    -0.40  -0.19   0.16
    20   8    -0.03  -0.02  -0.01    -0.00  -0.00   0.01    -0.02  -0.01   0.01
    21   1     0.19   0.17  -0.30     0.11   0.08  -0.07    -0.03  -0.07   0.10
    22   1    -0.04  -0.34   0.11    -0.15   0.01  -0.06     0.17   0.05   0.03
    23   1     0.08   0.12   0.02    -0.10  -0.11   0.01     0.04   0.04  -0.00
    24   1     0.28   0.03  -0.17     0.25   0.04  -0.11    -0.16  -0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.1060              1136.1901              1160.7147
 Red. masses --      3.7895                 3.3513                 2.9776
 Frc consts  --      2.7963                 2.5490                 2.3636
 IR Inten    --    130.4360                 8.2614                39.5947
 RamAct Fr= 1--      5.6156                 4.0590                 3.6041
  Dep-P Fr= 1--      0.5038                 0.7152                 0.4537
  Dep-U Fr= 1--      0.6701                 0.8340                 0.6242
 Alpha2 Fr= 1--      0.0272                 0.0024                 0.0218
 Beta2  Fr= 1--      0.6271                 0.5642                 0.3750
 AlphaG Fr= 1--     -0.0227                -0.0004                -0.0161
 Gamma2 Fr= 1--      1.3085                -0.5121                -0.3357
 Delta2 Fr= 1--      0.9870                -0.2801                 0.2517
 Raman1 Fr= 1--      22.462                 16.236                 14.417
 ROA1   Fr= 1--     157.196                -58.128                -24.177
 CID1   Fr= 1--       6.998                 -3.580                 -1.677
 Raman2 Fr= 1--       7.526                  6.770                  4.500
 ROA2   Fr= 1--      23.507                -10.051                -10.072
 CID2   Fr= 1--       3.124                 -1.485                 -2.238
 Raman3 Fr= 1--      15.051                 13.540                  8.999
 ROA3   Fr= 1--     157.196                -58.128                -24.177
 CID3   Fr= 1--      10.444                 -4.293                 -2.687
 RC180  Fr= 1--       0.340                  0.668                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.01    -0.02   0.09   0.05    -0.02  -0.12   0.00
     2   6    -0.21  -0.01  -0.05     0.20  -0.10   0.02     0.12  -0.09  -0.09
     3   6     0.00   0.02  -0.07    -0.16  -0.13   0.06    -0.00  -0.00  -0.01
     4   6     0.12   0.06   0.03     0.16  -0.04   0.06    -0.10   0.05  -0.05
     5   8    -0.15  -0.05  -0.03    -0.06   0.01   0.01     0.06  -0.03   0.02
     6   6     0.25   0.14   0.02     0.02   0.09   0.03     0.02   0.23   0.02
     7   8     0.01   0.01   0.01     0.02  -0.03  -0.02    -0.01   0.06   0.02
     8   1     0.19   0.17   0.00    -0.12   0.11   0.05    -0.04  -0.16   0.00
     9   8     0.09  -0.04   0.07    -0.10   0.04  -0.06    -0.05   0.03  -0.02
    10   1    -0.31  -0.09  -0.05     0.24  -0.35   0.00     0.20  -0.19  -0.10
    11   1    -0.10   0.09  -0.06    -0.31  -0.07   0.05     0.04  -0.04  -0.01
    12   8    -0.02  -0.02   0.01     0.07   0.07  -0.05     0.02   0.00  -0.00
    13   6     0.00   0.00  -0.08    -0.08   0.01  -0.11     0.04  -0.03   0.10
    14   1     0.07   0.02   0.04     0.37  -0.00   0.07    -0.37   0.12  -0.06
    15   8    -0.09  -0.11   0.05    -0.01  -0.03   0.02    -0.08  -0.12   0.03
    16   1     0.42   0.24   0.01    -0.15   0.15   0.04     0.13   0.56   0.03
    17   1    -0.03  -0.34  -0.20     0.01  -0.12  -0.10    -0.00   0.16   0.09
    18   1    -0.16   0.15  -0.08    -0.03  -0.02   0.00     0.05  -0.05   0.05
    19   1     0.01  -0.00  -0.01     0.03   0.05  -0.03    -0.07  -0.03   0.04
    20   8    -0.01  -0.00   0.02     0.02   0.01   0.01     0.01   0.01  -0.02
    21   1    -0.10  -0.05   0.12    -0.29  -0.06   0.13     0.11   0.01  -0.07
    22   1    -0.00   0.22  -0.10    -0.06   0.27  -0.14    -0.03  -0.20   0.12
    23   1     0.09   0.15   0.07    -0.15  -0.13   0.02     0.19   0.24   0.06
    24   1    -0.07  -0.01   0.04    -0.13  -0.01   0.09     0.01   0.01  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1189.1415              1228.3300              1249.4276
 Red. masses --      1.1651                 1.2601                 1.1551
 Frc consts  --      0.9707                 1.1202                 1.0625
 IR Inten    --     12.2110                 3.9138                10.5409
 RamAct Fr= 1--      2.1842                 1.8122                 4.0879
  Dep-P Fr= 1--      0.7437                 0.4044                 0.7500
  Dep-U Fr= 1--      0.8530                 0.5759                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0132                 0.0000
 Beta2  Fr= 1--      0.3105                 0.1739                 0.5840
 AlphaG Fr= 1--     -0.0009                 0.0013                -0.0000
 Gamma2 Fr= 1--     -2.0445                 1.0671                 0.0248
 Delta2 Fr= 1--     -1.3666                 0.8498                 0.0483
 Raman1 Fr= 1--       8.737                  7.249                 16.352
 ROA1   Fr= 1--    -240.004                129.638                  3.926
 CID1   Fr= 1--     -27.471                 17.884                  0.240
 Raman2 Fr= 1--       3.726                  2.087                  7.008
 ROA2   Fr= 1--     -38.135                 18.812                  0.208
 CID2   Fr= 1--     -10.234                  9.013                  0.030
 Raman3 Fr= 1--       7.452                  4.175                 14.016
 ROA3   Fr= 1--    -240.004                129.638                  3.926
 CID3   Fr= 1--     -32.205                 31.054                  0.280
 RC180  Fr= 1--       0.706                  0.152                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.01    -0.05  -0.02   0.09     0.01   0.00   0.02
     2   6     0.02  -0.02   0.01     0.03  -0.03  -0.03    -0.00  -0.01   0.03
     3   6    -0.01   0.03  -0.03    -0.02  -0.00  -0.04    -0.05   0.01  -0.06
     4   6    -0.03   0.01   0.04     0.03  -0.00   0.03     0.03   0.01   0.00
     5   8     0.00   0.01  -0.02    -0.01   0.01  -0.00    -0.01  -0.00   0.01
     6   6     0.02  -0.02  -0.00    -0.00  -0.05   0.01     0.01  -0.01  -0.00
     7   8    -0.01   0.01  -0.00     0.02  -0.00  -0.02    -0.03  -0.01  -0.01
     8   1     0.33  -0.08   0.01     0.05   0.22   0.11     0.62  -0.11   0.02
     9   8    -0.01   0.00  -0.01    -0.01  -0.02   0.01    -0.00   0.02  -0.01
    10   1     0.17   0.26   0.03     0.34   0.58   0.01    -0.10  -0.12   0.02
    11   1     0.26  -0.26  -0.03     0.06   0.17  -0.03    -0.01   0.33  -0.06
    12   8    -0.01  -0.00   0.01     0.01  -0.00   0.01     0.03  -0.02   0.00
    13   6     0.02   0.01  -0.05    -0.02  -0.01  -0.01    -0.01  -0.02  -0.01
    14   1     0.07  -0.30   0.03     0.02   0.10   0.03     0.11   0.03   0.00
    15   8    -0.01  -0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    16   1     0.01   0.11  -0.01     0.01   0.14   0.01    -0.05   0.04  -0.00
    17   1     0.01   0.23   0.14    -0.01  -0.16  -0.09     0.02   0.39   0.24
    18   1    -0.08   0.06  -0.06    -0.25   0.17  -0.18     0.13  -0.09   0.09
    19   1     0.15   0.07  -0.09    -0.05  -0.03   0.03    -0.31  -0.15   0.15
    20   8     0.00  -0.01   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.36  -0.05   0.08     0.27   0.01   0.00     0.14  -0.01   0.01
    22   1     0.37   0.18  -0.07    -0.25  -0.02   0.00    -0.17   0.01  -0.01
    23   1     0.08   0.09   0.00     0.18   0.17  -0.01    -0.02  -0.01   0.00
    24   1    -0.25  -0.05   0.15     0.16   0.03  -0.09     0.07   0.01  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1274.0805              1280.5282              1306.9922
 Red. masses --      1.2554                 1.2923                 1.1518
 Frc consts  --      1.2007                 1.2485                 1.1593
 IR Inten    --     19.9903                69.1661                 8.6203
 RamAct Fr= 1--      2.8376                 3.2082                 1.7981
  Dep-P Fr= 1--      0.3321                 0.3604                 0.7479
  Dep-U Fr= 1--      0.4986                 0.5298                 0.8558
 Alpha2 Fr= 1--      0.0264                 0.0272                 0.0001
 Beta2  Fr= 1--      0.2358                 0.2833                 0.2565
 AlphaG Fr= 1--     -0.0022                 0.0190                 0.0004
 Gamma2 Fr= 1--     -0.3886                -0.0958                 0.3137
 Delta2 Fr= 1--     -0.9507                -0.7690                 0.3787
 Raman1 Fr= 1--      11.350                 12.833                  7.192
 ROA1   Fr= 1--     -67.724                -33.809                 42.235
 CID1   Fr= 1--      -5.967                 -2.635                  5.872
 Raman2 Fr= 1--       2.830                  3.400                  3.077
 ROA2   Fr= 1--      -1.720                  3.852                  4.500
 CID2   Fr= 1--      -0.608                  1.133                  1.462
 Raman3 Fr= 1--       5.660                  6.799                  6.155
 ROA3   Fr= 1--     -67.724                -33.809                 42.235
 CID3   Fr= 1--     -11.966                 -4.972                  6.862
 RC180  Fr= 1--      -0.003                  0.060                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.02  -0.04   0.01     0.02   0.00   0.00
     2   6     0.01  -0.02  -0.03    -0.02   0.08   0.03     0.01   0.02   0.00
     3   6     0.02   0.01   0.05    -0.00   0.01  -0.01    -0.01   0.00  -0.02
     4   6    -0.02  -0.05  -0.09    -0.01  -0.01  -0.04    -0.05  -0.01  -0.00
     5   8    -0.00   0.01   0.00     0.00  -0.02   0.02    -0.01  -0.01  -0.00
     6   6    -0.02  -0.03   0.03     0.01   0.08  -0.06    -0.06   0.02   0.05
     7   8     0.00  -0.00  -0.01     0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1    -0.20   0.08   0.02     0.09  -0.09   0.01    -0.03  -0.16  -0.01
     9   8     0.00   0.00   0.01     0.00  -0.04  -0.01    -0.00  -0.01  -0.01
    10   1    -0.12   0.16  -0.03     0.53  -0.19   0.05     0.14  -0.13   0.01
    11   1    -0.12   0.54   0.06     0.08   0.32  -0.00     0.05  -0.11  -0.03
    12   8     0.02  -0.01  -0.01     0.01  -0.01   0.01    -0.01   0.00   0.00
    13   6     0.02   0.03   0.01     0.02   0.01   0.02    -0.02  -0.01  -0.02
    14   1     0.18  -0.02  -0.09    -0.04   0.02  -0.05     0.51   0.35   0.01
    15   8    -0.01  -0.00  -0.01     0.01  -0.01   0.02    -0.00  -0.01  -0.01
    16   1     0.13   0.10   0.03    -0.03  -0.31  -0.05     0.57  -0.23   0.07
    17   1    -0.00  -0.03  -0.02    -0.01  -0.09  -0.05     0.00   0.08   0.05
    18   1     0.04  -0.03   0.02    -0.33   0.22  -0.21    -0.05   0.03  -0.03
    19   1    -0.33  -0.16   0.16    -0.10  -0.05   0.05     0.08   0.04  -0.04
    20   8     0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    21   1    -0.37   0.01  -0.05    -0.16   0.01  -0.03     0.21  -0.01   0.03
    22   1     0.34   0.02  -0.00     0.07  -0.03   0.02     0.16   0.06  -0.04
    23   1     0.17   0.17  -0.00    -0.28  -0.30   0.01     0.14   0.13  -0.00
    24   1    -0.17  -0.03   0.08    -0.09  -0.02   0.05     0.09   0.01  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1337.3504              1346.4253              1354.5166
 Red. masses --      1.3344                 1.2478                 1.2898
 Frc consts  --      1.4061                 1.3328                 1.3942
 IR Inten    --     31.8658                34.6655                 1.3698
 RamAct Fr= 1--      0.8364                 2.7921                 2.0135
  Dep-P Fr= 1--      0.4631                 0.5468                 0.5138
  Dep-U Fr= 1--      0.6330                 0.7070                 0.6789
 Alpha2 Fr= 1--      0.0049                 0.0109                 0.0093
 Beta2  Fr= 1--      0.0882                 0.3290                 0.2278
 AlphaG Fr= 1--      0.0093                 0.0088                 0.0133
 Gamma2 Fr= 1--      0.1259                -0.3268                -0.0533
 Delta2 Fr= 1--     -0.0406                 0.9004                 0.0376
 Raman1 Fr= 1--       3.346                 11.168                  8.054
 ROA1   Fr= 1--      10.785                 -2.562                 -3.911
 CID1   Fr= 1--       3.224                 -0.229                 -0.486
 Raman2 Fr= 1--       1.059                  3.948                  2.734
 ROA2   Fr= 1--       3.346                -15.048                 -1.580
 CID2   Fr= 1--       3.160                 -3.811                 -0.578
 Raman3 Fr= 1--       2.118                  7.896                  5.468
 ROA3   Fr= 1--      10.785                 -2.562                 -3.911
 CID3   Fr= 1--       5.093                 -0.324                 -0.715
 RC180  Fr= 1--       0.266                  0.414                  0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.04    -0.08  -0.02  -0.04     0.01  -0.01   0.01
     2   6    -0.01  -0.01  -0.00    -0.05  -0.03   0.05     0.01  -0.03   0.00
     3   6    -0.03   0.05   0.04     0.00  -0.02  -0.00     0.03  -0.04  -0.04
     4   6    -0.07   0.05  -0.02     0.01  -0.03   0.00    -0.03  -0.08  -0.02
     5   8     0.02  -0.01   0.04     0.00   0.01  -0.01    -0.00  -0.00   0.04
     6   6     0.04   0.01  -0.04    -0.03  -0.01   0.02     0.05   0.01  -0.06
     7   8     0.02   0.01   0.02     0.02   0.01  -0.00    -0.01  -0.00  -0.01
     8   1    -0.02   0.04  -0.04     0.23   0.51   0.01     0.05   0.15   0.02
     9   8     0.00   0.01  -0.00     0.00   0.04  -0.03     0.00   0.00   0.01
    10   1    -0.03  -0.01  -0.01     0.26  -0.22   0.07    -0.19   0.19  -0.01
    11   1     0.26  -0.08   0.03     0.34   0.15  -0.00    -0.00   0.07  -0.05
    12   8     0.02  -0.01  -0.01    -0.01   0.00   0.02    -0.03   0.01   0.02
    13   6    -0.05  -0.04  -0.03     0.01   0.02   0.01    -0.02   0.02   0.01
    14   1     0.46  -0.17  -0.01    -0.08   0.10  -0.00     0.13   0.68  -0.01
    15   8     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.03
    16   1    -0.31   0.20  -0.05     0.21   0.04   0.03    -0.25   0.21  -0.07
    17   1    -0.02  -0.28  -0.16    -0.01  -0.25  -0.15     0.01   0.14   0.08
    18   1     0.07  -0.05   0.04     0.35  -0.23   0.22    -0.00   0.00  -0.01
    19   1    -0.24  -0.12   0.11     0.11   0.05  -0.05     0.27   0.14  -0.12
    20   8    -0.01   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   1     0.34  -0.03   0.06    -0.09   0.02  -0.02    -0.05   0.02  -0.03
    22   1     0.32   0.09  -0.05    -0.03  -0.03   0.01     0.23  -0.02   0.01
    23   1    -0.13  -0.12   0.01     0.02   0.03   0.00    -0.20  -0.21   0.01
    24   1     0.18   0.03  -0.11    -0.06  -0.01   0.04    -0.03  -0.01   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1367.3402              1388.4756              1403.6213
 Red. masses --      1.2083                 1.3584                 1.4155
 Frc consts  --      1.3310                 1.5430                 1.6431
 IR Inten    --      5.4749                24.7013                 3.4643
 RamAct Fr= 1--      0.6863                 3.4149                 4.3691
  Dep-P Fr= 1--      0.5432                 0.6572                 0.7457
  Dep-U Fr= 1--      0.7040                 0.7932                 0.8543
 Alpha2 Fr= 1--      0.0027                 0.0057                 0.0003
 Beta2  Fr= 1--      0.0805                 0.4514                 0.6221
 AlphaG Fr= 1--      0.0006                 0.0002                 0.0015
 Gamma2 Fr= 1--      0.5689                -1.8995                 1.3519
 Delta2 Fr= 1--      0.2882                -0.9433                 0.0029
 Raman1 Fr= 1--       2.745                 13.659                 17.477
 ROA1   Fr= 1--      63.840               -212.534                129.879
 CID1   Fr= 1--      23.254                -15.559                  7.432
 Raman2 Fr= 1--       0.966                  5.417                  7.465
 ROA2   Fr= 1--      11.348                -38.041                 32.423
 CID2   Fr= 1--      11.743                 -7.022                  4.343
 Raman3 Fr= 1--       1.933                 10.834                 14.930
 ROA3   Fr= 1--      63.840               -212.534                129.879
 CID3   Fr= 1--      33.031                -19.617                  8.699
 RC180  Fr= 1--       0.408                  0.586                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.04    -0.04   0.02  -0.01     0.01  -0.02   0.01
     2   6     0.04  -0.00  -0.02     0.02   0.07  -0.02    -0.03   0.09  -0.02
     3   6    -0.07  -0.01  -0.01     0.00  -0.04  -0.02     0.05  -0.01   0.00
     4   6    -0.00  -0.03   0.02     0.05  -0.02  -0.01    -0.08   0.01   0.01
     5   8    -0.00   0.01   0.00    -0.00   0.02  -0.01    -0.00   0.01   0.01
     6   6     0.00  -0.01   0.01     0.02  -0.06   0.07     0.04  -0.09   0.04
     7   8     0.01   0.01   0.03     0.00   0.00   0.01    -0.01  -0.01  -0.01
     8   1    -0.06  -0.44  -0.09     0.14  -0.23  -0.03    -0.04   0.08   0.02
     9   8    -0.00  -0.01   0.01     0.00  -0.01   0.00     0.00  -0.01  -0.00
    10   1    -0.25   0.01  -0.04     0.04  -0.35  -0.03     0.26  -0.39  -0.01
    11   1     0.66   0.17  -0.01     0.04   0.17  -0.02    -0.22  -0.01   0.00
    12   8    -0.01  -0.00   0.02    -0.01   0.01   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03  -0.00    -0.07  -0.03   0.01     0.05   0.03  -0.01
    14   1     0.09   0.13   0.02    -0.32   0.11  -0.02     0.41  -0.02   0.03
    15   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.04    -0.01   0.00  -0.01
    16   1    -0.07   0.02   0.01    -0.28   0.08   0.06    -0.29   0.38   0.03
    17   1    -0.01  -0.17  -0.10    -0.00  -0.08  -0.05     0.00   0.05   0.03
    18   1    -0.07   0.04  -0.04    -0.10   0.07  -0.07    -0.07   0.05  -0.05
    19   1     0.02   0.01  -0.01     0.14   0.07  -0.06     0.07   0.04  -0.04
    20   8     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.01  -0.02  -0.01
    21   1    -0.09   0.02  -0.03     0.03  -0.03   0.03     0.02   0.04  -0.06
    22   1    -0.33  -0.06   0.02     0.48   0.04  -0.02    -0.35  -0.01   0.01
    23   1     0.05   0.05  -0.00     0.27   0.27  -0.02     0.14   0.15  -0.01
    24   1    -0.18  -0.04   0.10     0.27   0.06  -0.13    -0.27  -0.06   0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.4196              1430.1880              1436.9663
 Red. masses --      1.6478                 1.2686                 1.5223
 Frc consts  --      1.9643                 1.5288                 1.8520
 IR Inten    --      4.7108                42.3640                 4.6173
 RamAct Fr= 1--      5.8207                 1.6813                 2.1403
  Dep-P Fr= 1--      0.6627                 0.7462                 0.5584
  Dep-U Fr= 1--      0.7971                 0.8547                 0.7166
 Alpha2 Fr= 1--      0.0091                 0.0001                 0.0078
 Beta2  Fr= 1--      0.7733                 0.2395                 0.2556
 AlphaG Fr= 1--     -0.0172                 0.0034                 0.0226
 Gamma2 Fr= 1--     -0.4971                 0.0940                 0.2361
 Delta2 Fr= 1--     -0.1700                 0.2605                 0.0658
 Raman1 Fr= 1--      23.283                  6.725                  8.561
 ROA1   Fr= 1--     -53.160                 17.361                 24.770
 CID1   Fr= 1--      -2.283                  2.582                  2.893
 Raman2 Fr= 1--       9.280                  2.874                  3.067
 ROA2   Fr= 1--     -10.571                  0.172                  5.139
 CID2   Fr= 1--      -1.139                  0.060                  1.675
 Raman3 Fr= 1--      18.559                  5.748                  6.135
 ROA3   Fr= 1--     -53.160                 17.361                 24.770
 CID3   Fr= 1--      -2.864                  3.021                  4.038
 RC180  Fr= 1--       0.594                  0.709                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.05   0.02    -0.05   0.03   0.00     0.10   0.01   0.01
     2   6    -0.13  -0.04  -0.02     0.02   0.04  -0.02    -0.03  -0.01  -0.00
     3   6    -0.07   0.06  -0.00     0.02  -0.00  -0.00    -0.03  -0.14   0.00
     4   6     0.05  -0.06   0.01     0.02   0.01  -0.00    -0.01   0.10  -0.01
     5   8    -0.00   0.01   0.00    -0.00   0.01  -0.01     0.00  -0.01  -0.01
     6   6     0.02  -0.04   0.00    -0.06  -0.08  -0.04    -0.01  -0.01  -0.02
     7   8    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.03  -0.01  -0.02
     8   1    -0.35  -0.27  -0.02     0.11  -0.25  -0.02    -0.30   0.11   0.01
     9   8     0.01   0.02  -0.02     0.00  -0.01   0.01    -0.00  -0.00  -0.00
    10   1     0.60   0.04   0.04    -0.03  -0.07  -0.03     0.07   0.03   0.01
    11   1     0.18  -0.20  -0.01    -0.11   0.00  -0.00     0.27   0.50   0.01
    12   8     0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.02   0.02
    13   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.02  -0.00
    14   1    -0.14   0.21   0.00    -0.08  -0.04  -0.01     0.00  -0.39  -0.00
    15   8     0.00   0.01   0.00     0.02   0.02   0.05     0.01   0.01   0.01
    16   1    -0.09   0.24  -0.01     0.50   0.65  -0.06     0.11   0.13  -0.02
    17   1     0.01   0.14   0.09    -0.00  -0.12  -0.07     0.01   0.26   0.14
    18   1     0.20  -0.13   0.13    -0.05   0.03  -0.04     0.01  -0.01   0.01
    19   1    -0.17  -0.09   0.08    -0.00  -0.00   0.00     0.30   0.15  -0.14
    20   8    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01   0.00
    21   1    -0.10  -0.02   0.04    -0.10  -0.02   0.02     0.29   0.02  -0.04
    22   1     0.05  -0.04   0.00    -0.00   0.02  -0.00     0.12   0.07  -0.01
    23   1    -0.02  -0.02   0.00    -0.28  -0.27   0.03    -0.08  -0.09   0.01
    24   1     0.08   0.02  -0.04     0.12   0.03  -0.06    -0.03  -0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1444.9234              1450.0553              1515.6148
 Red. masses --      1.5176                 1.3562                 1.0892
 Frc consts  --      1.8668                 1.6801                 1.4742
 IR Inten    --      4.6049                99.4391                 1.1354
 RamAct Fr= 1--      3.3891                 2.8643                 4.4517
  Dep-P Fr= 1--      0.6068                 0.3764                 0.7334
  Dep-U Fr= 1--      0.7553                 0.5470                 0.8462
 Alpha2 Fr= 1--      0.0089                 0.0230                 0.0013
 Beta2  Fr= 1--      0.4266                 0.2611                 0.6278
 AlphaG Fr= 1--      0.0052                 0.0203                -0.0007
 Gamma2 Fr= 1--      0.1428                -0.6973                -0.1547
 Delta2 Fr= 1--      0.1620                -0.4239                -0.0776
 Raman1 Fr= 1--      13.556                 11.457                 17.807
 ROA1   Fr= 1--      18.895                -80.503                -17.332
 CID1   Fr= 1--       1.394                 -7.026                 -0.973
 Raman2 Fr= 1--       5.120                  3.133                  7.534
 ROA2   Fr= 1--       2.132                -13.343                 -3.091
 CID2   Fr= 1--       0.417                 -4.258                 -0.410
 Raman3 Fr= 1--      10.239                  6.267                 15.068
 ROA3   Fr= 1--      18.895                -80.503                -17.332
 CID3   Fr= 1--       1.845                -12.846                 -1.150
 RC180  Fr= 1--       0.511                  0.094                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.11  -0.01    -0.01   0.03   0.00    -0.00   0.00   0.00
     2   6     0.05   0.09   0.01    -0.02  -0.03   0.00    -0.00  -0.00  -0.00
     3   6    -0.09   0.06   0.01     0.03  -0.05  -0.00     0.01  -0.01  -0.00
     4   6     0.02  -0.02   0.00    -0.07   0.02  -0.01    -0.01   0.01  -0.00
     5   8    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.01  -0.03   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
     7   8    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.21   0.56   0.04     0.01  -0.10  -0.01     0.01  -0.01   0.00
     9   8    -0.01  -0.03   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    10   1    -0.25  -0.24  -0.03     0.09   0.08   0.01     0.00   0.00   0.00
    11   1     0.34  -0.13   0.00    -0.05   0.14   0.00    -0.03   0.04  -0.00
    12   8     0.02  -0.01  -0.00    -0.02   0.01   0.01    -0.00   0.00   0.00
    13   6     0.03  -0.03  -0.01     0.09  -0.07  -0.01    -0.01   0.06  -0.05
    14   1    -0.04   0.05   0.00     0.21  -0.07  -0.00     0.04  -0.04  -0.00
    15   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.08   0.11   0.00    -0.11  -0.09   0.00     0.00   0.00   0.00
    17   1     0.01   0.20   0.12     0.00  -0.02  -0.01    -0.00   0.00   0.00
    18   1    -0.22   0.14  -0.13     0.08  -0.05   0.04     0.00  -0.00   0.00
    19   1    -0.11  -0.06   0.06     0.16   0.08  -0.06     0.02   0.01  -0.01
    20   8    -0.02   0.02   0.01    -0.04   0.05   0.02     0.00   0.00  -0.00
    21   1    -0.23  -0.08   0.10    -0.52  -0.16   0.12     0.01  -0.13   0.70
    22   1    -0.07  -0.02  -0.00    -0.24   0.08  -0.02     0.06  -0.69   0.04
    23   1    -0.01  -0.00   0.00     0.02   0.02  -0.00     0.00  -0.00   0.00
    24   1     0.26   0.07  -0.13     0.58   0.15  -0.29    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2976.0150              2979.0203              2987.5053
 Red. masses --      1.0811                 1.0725                 1.0800
 Frc consts  --      5.6414                 5.6080                 5.6795
 IR Inten    --      7.2280                31.0814                 2.4421
 RamAct Fr= 1--     60.4734               127.1513               177.6453
  Dep-P Fr= 1--      0.1570                 0.1132                 0.1499
  Dep-U Fr= 1--      0.2714                 0.2035                 0.2607
 Alpha2 Fr= 1--      0.9184                 2.1549                 2.7471
 Beta2  Fr= 1--      2.7351                 4.3116                 7.7178
 AlphaG Fr= 1--      0.1078                 0.5784                 0.1438
 Gamma2 Fr= 1--      1.8579                 4.0916                -3.0689
 Delta2 Fr= 1--      0.1650                 2.4263                -1.5186
 Raman1 Fr= 1--     241.893                508.605                710.581
 ROA1   Fr= 1--     183.636                470.436               -343.205
 CID1   Fr= 1--       0.759                  0.925                 -0.483
 Raman2 Fr= 1--      32.821                 51.739                 92.613
 ROA2   Fr= 1--      43.268                 78.788                -61.504
 CID2   Fr= 1--       1.318                  1.523                 -0.664
 Raman3 Fr= 1--      65.643                103.478                185.227
 ROA3   Fr= 1--     183.636                470.436               -343.205
 CID3   Fr= 1--       2.797                  4.546                 -1.853
 RC180  Fr= 1--      -0.457                 -0.593                 -0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.02     0.00   0.00  -0.01     0.00  -0.01   0.05
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.06
     4   6    -0.00  -0.00  -0.01     0.00  -0.00   0.03    -0.00   0.00   0.03
     5   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00   0.02  -0.24    -0.00  -0.01   0.09     0.01   0.05  -0.59
     9   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.07  -0.03   0.92    -0.01  -0.00   0.13    -0.00  -0.00   0.05
    11   1    -0.00   0.00  -0.18    -0.00   0.00  -0.13     0.00  -0.01   0.72
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.01    -0.01   0.00  -0.07    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.13     0.01   0.00  -0.32     0.01   0.00  -0.33
    15   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00  -0.16    -0.00   0.00  -0.02    -0.00   0.00   0.10
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1    -0.00   0.01   0.00     0.01  -0.15  -0.05     0.00   0.00   0.00
    22   1    -0.00  -0.01  -0.10     0.02   0.10   0.90     0.00   0.00   0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.5604              3007.4540              3018.5284
 Red. masses --      1.0825                 1.0849                 1.0863
 Frc consts  --      5.7191                 5.7815                 5.8318
 IR Inten    --      2.1779                27.6451               130.2110
 RamAct Fr= 1--     12.4744                31.7216                42.7627
  Dep-P Fr= 1--      0.3887                 0.1511                 0.1777
  Dep-U Fr= 1--      0.5598                 0.2625                 0.3018
 Alpha2 Fr= 1--      0.0962                 0.4890                 0.6157
 Beta2  Fr= 1--      1.1639                 1.3879                 2.1506
 AlphaG Fr= 1--      0.0331                -0.4235                -0.5391
 Gamma2 Fr= 1--     -0.3697                 2.0337                -3.2473
 Delta2 Fr= 1--     -2.2047                 2.6213                 0.0819
 Raman1 Fr= 1--      49.898                126.886                171.051
 ROA1   Fr= 1--    -106.047                279.117               -309.116
 CID1   Fr= 1--      -2.125                  2.200                 -1.807
 Raman2 Fr= 1--      13.966                 16.655                 25.807
 ROA2   Fr= 1--       8.764                 27.838                -78.589
 CID2   Fr= 1--       0.628                  1.671                 -3.045
 Raman3 Fr= 1--      27.933                 33.310                 51.615
 ROA3   Fr= 1--    -106.047                279.117               -309.116
 CID3   Fr= 1--      -3.796                  8.379                 -5.989
 RC180  Fr= 1--       0.120                 -0.475                 -0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.05    -0.00  -0.00   0.02     0.00   0.00  -0.03
     2   6    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
     3   6     0.00   0.00   0.02     0.00  -0.00   0.04    -0.00   0.00  -0.03
     4   6     0.00  -0.00  -0.05    -0.00   0.00   0.04     0.00   0.00  -0.03
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.05     0.00  -0.00  -0.06
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.01   0.05  -0.59    -0.00   0.02  -0.27    -0.01  -0.04   0.39
     9   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   1     0.02   0.01  -0.23     0.00   0.00  -0.02    -0.02  -0.01   0.26
    11   1    -0.01   0.01  -0.22    -0.00   0.01  -0.52     0.01  -0.00   0.32
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.00   0.00  -0.01
    14   1    -0.02  -0.01   0.65     0.01  -0.00  -0.50    -0.02  -0.00   0.30
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.00   0.00   0.18    -0.01   0.01   0.60    -0.01   0.02   0.75
    17   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.08  -0.03    -0.00   0.07   0.02     0.00  -0.04  -0.01
    22   1     0.01   0.03   0.28    -0.01  -0.02  -0.20     0.01   0.01   0.09
    23   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01
    24   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3092.0572              3736.4656              3760.0278
 Red. masses --      1.0924                 1.0659                 1.0650
 Frc consts  --      6.1535                 8.7680                 8.8709
 IR Inten    --     24.3998               119.5738                38.4894
 RamAct Fr= 1--     94.9695                57.6684                70.7229
  Dep-P Fr= 1--      0.2861                 0.1061                 0.1517
  Dep-U Fr= 1--      0.4449                 0.1919                 0.2634
 Alpha2 Fr= 1--      1.0149                 0.9946                 1.0887
 Beta2  Fr= 1--      7.0426                 1.8442                 3.1044
 AlphaG Fr= 1--     -0.5785                -0.0619                -0.0861
 Gamma2 Fr= 1--     -5.1168                -1.3573                -2.4390
 Delta2 Fr= 1--     -1.7089                -0.4898                -0.9517
 Raman1 Fr= 1--     379.878                230.674                282.891
 ROA1   Fr= 1--    -545.897               -145.975               -264.595
 CID1   Fr= 1--      -1.437                 -0.633                 -0.935
 Raman2 Fr= 1--      84.511                 22.131                 37.253
 ROA2   Fr= 1--    -109.132                -28.656                -50.921
 CID2   Fr= 1--      -1.291                 -1.295                 -1.367
 Raman3 Fr= 1--     169.022                 44.262                 74.506
 ROA3   Fr= 1--    -545.897               -145.975               -264.595
 CID3   Fr= 1--      -3.230                 -3.298                 -3.551
 RC180  Fr= 1--      -0.110                 -0.616                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   8     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    13   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.06
    16   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.04   0.01
    19   1     0.00  -0.00  -0.00    -0.03   0.09   0.02     0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00     0.01  -0.06  -0.00    -0.00  -0.00  -0.00
    21   1    -0.08   0.95   0.23     0.00   0.02   0.00    -0.00   0.00   0.00
    22   1     0.01   0.00   0.16     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.17   0.97
    24   1     0.01  -0.02  -0.01    -0.13   0.98   0.06     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3777.3655              3779.8882              3792.9608
 Red. masses --      1.0658                 1.0658                 1.0660
 Frc consts  --      8.9602                 8.9720                 9.0360
 IR Inten    --     45.7416                49.4016                60.3985
 RamAct Fr= 1--     61.5960                74.1897                85.5329
  Dep-P Fr= 1--      0.1729                 0.2075                 0.1771
  Dep-U Fr= 1--      0.2948                 0.3437                 0.3010
 Alpha2 Fr= 1--      0.8980                 0.9876                 1.2333
 Beta2  Fr= 1--      3.0265                 4.2494                 4.2906
 AlphaG Fr= 1--     -0.3360                -0.2812                 0.3972
 Gamma2 Fr= 1--     -1.7074                 0.8321                 2.0220
 Delta2 Fr= 1--      1.1166                 2.0301                -0.3088
 Raman1 Fr= 1--     246.384                296.759                342.131
 ROA1   Fr= 1--    -128.174                144.844                184.228
 CID1   Fr= 1--      -0.520                  0.488                  0.538
 Raman2 Fr= 1--      36.318                 50.993                 51.487
 ROA2   Fr= 1--     -49.910                  3.729                 50.998
 CID2   Fr= 1--      -1.374                  0.073                  0.990
 Raman3 Fr= 1--      72.636                101.986                102.975
 ROA3   Fr= 1--    -128.174                144.844                184.228
 CID3   Fr= 1--      -1.765                  1.420                  1.789
 RC180  Fr= 1--      -0.410                 -0.313                 -0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.02
     8   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.04  -0.05   0.01    -0.00  -0.00   0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8     0.02  -0.06  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1     0.01  -0.01   0.00    -0.03   0.01  -0.01     0.92  -0.28   0.27
    18   1    -0.00  -0.00   0.00     0.66   0.73  -0.15     0.02   0.02  -0.01
    19   1    -0.29   0.92   0.22    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.01   0.05    -0.00   0.00  -0.01
    24   1     0.01  -0.10  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1376.673832454.181313661.00849
           X            0.99998  -0.00613   0.00178
           Y            0.00614   0.99997  -0.00485
           Z           -0.00175   0.00486   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06292     0.03529     0.02366
 Rotational constants (GHZ):           1.31094     0.73537     0.49296
 Zero-point vibrational energy     517141.2 (Joules/Mol)
                                  123.59972 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     97.63   153.77   170.52   236.73   301.94
          (Kelvin)            332.60   358.12   408.01   427.25   475.28
                              486.02   535.68   565.68   573.06   581.31
                              605.62   642.19   689.12   720.36   793.27
                              860.82   891.98   958.15  1294.35  1435.48
                             1453.70  1472.46  1509.95  1553.43  1568.83
                             1581.63  1588.58  1603.18  1610.14  1634.72
                             1670.01  1710.91  1767.29  1797.65  1833.12
                             1842.39  1880.47  1924.15  1937.21  1948.85
                             1967.30  1997.71  2019.50  2046.54  2057.72
                             2067.47  2078.92  2086.31  2180.63  4281.82
                             4286.15  4298.35  4308.50  4327.06  4342.99
                             4448.78  5375.94  5409.84  5434.79  5438.42
                             5457.22
 
 Zero-point correction=                           0.196969 (Hartree/Particle)
 Thermal correction to Energy=                    0.209276
 Thermal correction to Enthalpy=                  0.210221
 Thermal correction to Gibbs Free Energy=         0.159487
 Sum of electronic and zero-point Energies=           -687.312263
 Sum of electronic and thermal Energies=              -687.299956
 Sum of electronic and thermal Enthalpies=            -687.299012
 Sum of electronic and thermal Free Energies=         -687.349745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.323             47.395            106.779
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.893
 Vibrational            129.546             41.433             34.415
 Vibration     1          0.598              1.970              4.215
 Vibration     2          0.606              1.944              3.325
 Vibration     3          0.609              1.934              3.124
 Vibration     4          0.623              1.886              2.497
 Vibration     5          0.642              1.826              2.045
 Vibration     6          0.653              1.793              1.870
 Vibration     7          0.662              1.765              1.738
 Vibration     8          0.682              1.704              1.512
 Vibration     9          0.691              1.679              1.434
 Vibration    10          0.713              1.615              1.258
 Vibration    11          0.718              1.600              1.223
 Vibration    12          0.744              1.529              1.070
 Vibration    13          0.760              1.485              0.988
 Vibration    14          0.765              1.474              0.969
 Vibration    15          0.769              1.461              0.948
 Vibration    16          0.783              1.425              0.889
 Vibration    17          0.806              1.369              0.807
 Vibration    18          0.835              1.297              0.713
 Vibration    19          0.856              1.249              0.656
 Vibration    20          0.907              1.137              0.541
 Vibration    21          0.956              1.035              0.453
 Vibration    22          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.437799D-73        -73.358726       -168.914708
 Total V=0       0.173981D+18         17.240501         39.697720
 Vib (Bot)       0.366157D-87        -87.436332       -201.329595
 Vib (Bot)    1  0.304036D+01          0.482925          1.111975
 Vib (Bot)    2  0.191756D+01          0.282749          0.651054
 Vib (Bot)    3  0.172489D+01          0.236761          0.545163
 Vib (Bot)    4  0.122694D+01          0.088824          0.204525
 Vib (Bot)    5  0.946486D+00         -0.023886         -0.054999
 Vib (Bot)    6  0.851576D+00         -0.069777         -0.160667
 Vib (Bot)    7  0.784521D+00         -0.105395         -0.242682
 Vib (Bot)    8  0.676684D+00         -0.169614         -0.390551
 Vib (Bot)    9  0.641523D+00         -0.192788         -0.443911
 Vib (Bot)   10  0.565501D+00         -0.247567         -0.570044
 Vib (Bot)   11  0.550452D+00         -0.259281         -0.597016
 Vib (Bot)   12  0.488218D+00         -0.311386         -0.716993
 Vib (Bot)   13  0.455586D+00         -0.341430         -0.786172
 Vib (Bot)   14  0.448058D+00         -0.348666         -0.802833
 Vib (Bot)   15  0.439843D+00         -0.356703         -0.821338
 Vib (Bot)   16  0.416851D+00         -0.380019         -0.875027
 Vib (Bot)   17  0.385339D+00         -0.414157         -0.953631
 Vib (Bot)   18  0.349494D+00         -0.456561         -1.051270
 Vib (Bot)   19  0.328066D+00         -0.484038         -1.114539
 Vib (Bot)   20  0.284262D+00         -0.546281         -1.257859
 Vib (Bot)   21  0.250008D+00         -0.602045         -1.386261
 Vib (Bot)   22  0.235897D+00         -0.627278         -1.444360
 Vib (V=0)       0.145510D+04          3.162894          7.282832
 Vib (V=0)    1  0.358120D+01          0.554028          1.275697
 Vib (V=0)    2  0.248168D+01          0.394745          0.908934
 Vib (V=0)    3  0.229590D+01          0.360952          0.831124
 Vib (V=0)    4  0.182491D+01          0.261242          0.601531
 Vib (V=0)    5  0.157044D+01          0.196021          0.451354
 Vib (V=0)    6  0.148751D+01          0.172461          0.397105
 Vib (V=0)    7  0.143031D+01          0.155430          0.357890
 Vib (V=0)    8  0.134137D+01          0.127548          0.293690
 Vib (V=0)    9  0.131336D+01          0.118383          0.272587
 Vib (V=0)   10  0.125485D+01          0.098590          0.227012
 Vib (V=0)   11  0.124364D+01          0.094694          0.218041
 Vib (V=0)   12  0.119883D+01          0.078756          0.181342
 Vib (V=0)   13  0.117643D+01          0.070566          0.162485
 Vib (V=0)   14  0.117138D+01          0.068699          0.158185
 Vib (V=0)   15  0.116593D+01          0.066672          0.153518
 Vib (V=0)   16  0.115097D+01          0.061065          0.140607
 Vib (V=0)   17  0.113126D+01          0.053562          0.123330
 Vib (V=0)   18  0.111004D+01          0.045338          0.104394
 Vib (V=0)   19  0.109802D+01          0.040610          0.093508
 Vib (V=0)   20  0.107516D+01          0.031472          0.072466
 Vib (V=0)   21  0.105902D+01          0.024904          0.057345
 Vib (V=0)   22  0.105285D+01          0.022368          0.051504
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.125897D+07          6.100015         14.045803
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   0009999                                    544444433333322221111110000009  9    6655544443333322222 111   
   98763                   9109877                                    154332086543087428631109984219  0    6295074209973398431 6106  
   30706                   2975896                                    605702487567714989169449009308  0    6081196148328074910 5978  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X    XXXXXXXXXXXXXXXXXXX XXXX  
   XXXXX                   XXX  X                                      X  X  X  XX XX   X XXXXX XXXX       X  XX X XX X X X          
   XXXXX                    XX  X                                      X  X     XX X    X XXXXX X XX          XX   XX X X            
   XXXXX                    X                                          X  X        X    X XXXXX   XX           X   XX X X            
   XX  X                    X                                          X           X      XXXXX    X           X   XX X X            
   X   X                    X                                          X           X      XXXXX    X           X   XX X              
       X                    X                                          X           X      X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   XX X              
       X                    X                                          X                  X XXX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
       X                    X                                                             X  XX    X           X   X                 
                            X                                                             X  XX    X           X   X                 
                                                                                             XX                X   X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                    X                 
                                                                                             XX                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010123    0.000039524    0.000009867
      2        6          -0.000043983    0.000004406   -0.000021617
      3        6           0.000012114   -0.000013939   -0.000005191
      4        6           0.000044431    0.000051519   -0.000012009
      5        8          -0.000062337   -0.000030079    0.000007063
      6        6           0.000053374   -0.000000236    0.000015720
      7        8           0.000003876   -0.000020702   -0.000011640
      8        1          -0.000000883   -0.000001263   -0.000008741
      9        8           0.000027652   -0.000011234    0.000007127
     10        1           0.000001535   -0.000001794    0.000007019
     11        1          -0.000003177    0.000003701    0.000004390
     12        8          -0.000009518   -0.000005354   -0.000004296
     13        6           0.000000173   -0.000002943   -0.000000821
     14        1          -0.000004902   -0.000006538    0.000004942
     15        8          -0.000020858   -0.000013476    0.000008050
     16        1          -0.000001748   -0.000003312   -0.000002872
     17        1           0.000001416   -0.000003521   -0.000001196
     18        1           0.000001339   -0.000000168    0.000000083
     19        1           0.000001935   -0.000000762    0.000001211
     20        8          -0.000001702    0.000003951   -0.000000599
     21        1           0.000002953    0.000001151    0.000003038
     22        1           0.000002687    0.000005495   -0.000000024
     23        1           0.000004179    0.000001510   -0.000005942
     24        1           0.000001566    0.000004065    0.000006439
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062337 RMS     0.000016714
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110796D+03  0.104871D+01 -0.297314D+00
      2   0.104871D+01  0.997539D+02 -0.162117D+01
      3  -0.297314D+00 -0.162117D+01  0.834021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.170312D+01 -0.445160D+01  0.637098D+01
      2  -0.363280D+01  0.117159D+00  0.439014D+01
      3  -0.595359D+01 -0.108188D+02  0.123309D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.272788D+02 -0.119595D+02 -0.168164D+02
      2  -0.225618D+02  0.134172D+02  0.113288D+02
      3  -0.471703D+01 -0.145769D+01  0.548752D+01
      4  -0.192930D+02 -0.729918D+01 -0.906165D+00
      5  -0.787507D+01 -0.236575D+01  0.722065D+01
      6  -0.234150D+00  0.131267D+02 -0.117203D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264004D+01  0.202813D+01 -0.731736D+00  0.128891D+01  0.207426D+01
      2   0.202813D+01  0.198755D+01  0.147143D+00  0.207426D+01 -0.339387D+01
      3  -0.731736D+00  0.147143D+00 -0.439639D+00  0.250866D+00 -0.113250D+01
                 6             7             8             9            10 
      1   0.250866D+00 -0.968521D+00  0.513277D+00 -0.446045D+00  0.297405D+01
      2  -0.113250D+01  0.513277D+00 -0.194259D+01 -0.587892D+00 -0.166937D+01
      3   0.370505D+00 -0.446045D+00 -0.587892D+00  0.773828D+01  0.107735D+01
                11            12            13            14            15 
      1  -0.166937D+01  0.107735D+01 -0.246338D+01 -0.208822D+01 -0.490181D+00
      2  -0.129729D+01 -0.229629D+00 -0.208822D+01  0.166282D+01  0.737387D+00
      3  -0.229629D+00 -0.727101D+00 -0.490181D+00  0.737387D+00  0.103569D+01
                16            17            18            19            20 
      1   0.180796D+01 -0.689466D+00  0.323847D+00  0.138469D+01 -0.210920D+01
      2  -0.689466D+00  0.932780D+00  0.470798D+00 -0.210920D+01 -0.191771D+01
      3   0.323847D+00  0.470798D+00 -0.806172D+01  0.883417D+00  0.146800D+00
                21            22            23            24            25 
      1   0.883417D+00 -0.319801D+01 -0.259014D+01  0.928970D-01  0.169885D+01
      2   0.146800D+00 -0.259014D+01  0.235374D+01  0.847007D+00  0.255587D+00
      3   0.671009D+00  0.928970D-01  0.847007D+00  0.102844D+01  0.117203D+00
                26            27            28            29            30 
      1   0.255587D+00  0.117203D+00 -0.293968D+00  0.315766D+01 -0.108197D+01
      2   0.161657D+01  0.553672D+00  0.315766D+01  0.141931D+01 -0.128419D-01
      3   0.553672D+00 -0.741205D+01 -0.108197D+01 -0.128419D-01 -0.830953D+00
                31            32            33            34            35 
      1   0.356189D+01  0.253605D+01  0.734263D-01 -0.143085D+01  0.185831D+00
      2   0.253605D+01 -0.318020D+01 -0.886808D+00  0.185831D+00 -0.147512D+01
      3   0.734263D-01 -0.886808D+00 -0.623358D+00 -0.444898D+00  0.122453D-01
                36            37            38            39            40 
      1  -0.444898D+00  0.213631D+01 -0.275848D+01  0.604335D+00 -0.413164D+01
      2   0.122453D-01 -0.275848D+01 -0.314286D+00 -0.459570D+00 -0.896970D+00
      3   0.781553D+01  0.604335D+00 -0.459570D+00  0.361437D-01 -0.931307D-01
                41            42            43            44            45 
      1  -0.896970D+00 -0.931307D-01  0.289615D+01  0.253503D+00  0.199250D+00
      2  -0.326980D+01  0.972559D+00  0.253503D+00  0.131227D+01 -0.743303D+00
      3   0.972559D+00  0.456279D+00  0.199250D+00 -0.743303D+00 -0.966194D+00
                46            47            48            49            50 
      1  -0.381166D+01  0.546506D+00 -0.326814D+00  0.303305D+01  0.200087D+01
      2   0.546506D+00  0.175985D+01  0.783732D+00  0.200087D+01 -0.158880D+01
      3  -0.326814D+00  0.783732D+00 -0.357333D+00  0.856252D-01 -0.616048D+00
                51            52            53            54            55 
      1   0.856252D-01 -0.151162D+01  0.229077D+00  0.309389D-01  0.424218D+01
      2  -0.616048D+00  0.229077D+00 -0.129569D+01 -0.808915D-01 -0.849606D+00
      3  -0.173944D+01  0.309389D-01 -0.808915D-01  0.791672D+01  0.129989D+01
                56            57            58            59            60 
      1  -0.849606D+00  0.129989D+01 -0.232707D+00 -0.154983D+00 -0.266976D+00
      2   0.165552D+01 -0.154088D+00 -0.154983D+00  0.762586D+01  0.132307D+01
      3  -0.154088D+00  0.742704D+00 -0.266976D+00  0.132307D+01 -0.101693D+00
                61            62            63            64            65 
      1   0.197325D+01 -0.974413D+00  0.966392D-01  0.468209D+00 -0.330738D+00
      2  -0.974413D+00  0.321898D+01  0.152660D+01 -0.330738D+00 -0.330311D+00
      3   0.966392D-01  0.152660D+01  0.423747D+00 -0.902269D+00 -0.179864D-01
                66            67            68            69            70 
      1  -0.902269D+00 -0.165309D+00 -0.334988D+00  0.898385D-02 -0.169152D+01
      2  -0.179864D-01 -0.334988D+00  0.795760D+00 -0.105435D+01  0.112757D+00
      3   0.158898D+00  0.898385D-02 -0.105435D+01  0.336669D+00 -0.209266D-01
                71            72            73            74            75 
      1   0.112757D+00 -0.209266D-01 -0.396471D+01  0.322289D+01 -0.108604D+01
      2  -0.187936D+01  0.829498D+00  0.322289D+01  0.719003D+00 -0.906206D-01
      3   0.829498D+00 -0.735821D+01 -0.108604D+01 -0.906206D-01  0.675624D+00
                76            77            78            79            80 
      1   0.619492D+01 -0.335919D+00  0.318408D+00 -0.303265D+01  0.201269D+00
      2  -0.335919D+00  0.332773D+01 -0.922489D+00  0.201269D+00 -0.112665D+01
      3   0.318408D+00 -0.922489D+00  0.562653D+00 -0.130607D+01  0.525235D+00
                81            82            83            84            85 
      1  -0.130607D+01 -0.708372D+00  0.332041D+00  0.104228D+01  0.271960D+00
      2   0.525235D+00  0.332041D+00  0.233419D+00  0.370388D-01  0.263643D+00
      3  -0.376033D+00  0.104228D+01  0.370388D-01 -0.257894D+00  0.685101D-01
                86            87            88            89            90 
      1   0.263643D+00  0.685101D-01  0.201791D+01  0.110576D+00 -0.775760D+00
      2  -0.463943D+00  0.101334D+01  0.110576D+00  0.157411D+01 -0.256610D+00
      3   0.101334D+01 -0.514151D+00 -0.775760D+00 -0.256610D+00  0.756245D+01
                91            92            93            94            95 
      1  -0.275060D+00  0.219209D+00  0.984941D+00  0.294639D+00  0.445986D+00
      2   0.219209D+00  0.422753D+00  0.578998D-01  0.445986D+00 -0.414557D+00
      3   0.984941D+00  0.578998D-01 -0.956418D-01  0.734736D-01  0.884539D+00
                96            97            98            99           100 
      1   0.734736D-01  0.185528D+01  0.425411D-02  0.322138D+00  0.612333D+01
      2   0.884539D+00  0.425411D-02  0.166252D+01  0.169652D+00  0.188005D+01
      3  -0.285888D+00  0.322138D+00  0.169652D+00  0.726669D+01 -0.830707D+00
               101           102           103           104           105 
      1   0.188005D+01 -0.830707D+00  0.878822D+00  0.308084D+01  0.167942D+00
      2   0.371398D+01  0.167153D+00  0.308084D+01 -0.280853D+01 -0.100592D+01
      3   0.167153D+00 -0.135674D-01  0.167942D+00 -0.100592D+01 -0.673716D+00
               106           107           108           109           110 
      1  -0.183581D+01 -0.475561D+00  0.108903D+01  0.114227D+01 -0.287096D+01
      2  -0.475561D+00 -0.217710D+01  0.484522D+00 -0.287096D+01  0.407485D+00
      3   0.108903D+01  0.484522D+00 -0.202661D+00  0.176879D+01 -0.344226D+00
               111           112           113           114           115 
      1   0.176879D+01 -0.277342D+01 -0.165168D+01  0.491053D-01  0.283980D+01
      2  -0.344226D+00 -0.165168D+01  0.630633D+01  0.127519D+01  0.423466D-01
      3   0.906311D+00  0.491053D-01  0.127519D+01 -0.338649D+00 -0.202491D+00
               116           117           118           119           120 
      1   0.423466D-01 -0.202491D+00  0.881280D+00 -0.567951D+00 -0.103229D+01
      2   0.130975D+01  0.630887D+00 -0.567951D+00 -0.620412D-01 -0.270538D-01
      3   0.630887D+00 -0.737838D+01 -0.103229D+01 -0.270538D-01  0.623822D+00
               121           122           123           124           125 
      1  -0.625491D+00 -0.891509D-01 -0.759666D-01 -0.233967D+01 -0.956528D-01
      2  -0.891509D-01  0.256967D+00 -0.935349D+00 -0.956528D-01 -0.138089D+01
      3  -0.759666D-01 -0.935349D+00 -0.438108D-01  0.852802D+00 -0.469955D+00
               126           127           128           129           130 
      1   0.852802D+00 -0.411105D+01 -0.252085D+01  0.110219D+00 -0.274590D+01
      2  -0.469955D+00 -0.252085D+01 -0.275315D+01 -0.380106D-01 -0.277146D+01
      3  -0.739616D+01  0.110219D+00 -0.380106D-01 -0.980628D-01 -0.367442D+00
               131           132           133           134           135 
      1  -0.277146D+01 -0.367442D+00 -0.620128D+00 -0.812349D+00 -0.108395D-01
      2  -0.518276D+01 -0.502444D+00 -0.812349D+00 -0.175875D+01  0.955895D+00
      3  -0.502444D+00  0.109271D+01 -0.108395D-01  0.955895D+00 -0.523200D+01
               136           137           138           139           140 
      1   0.634389D-02 -0.361125D+00 -0.114169D+01 -0.424574D+00 -0.538625D+00
      2  -0.361125D+00 -0.410832D+00 -0.814408D-01 -0.538625D+00 -0.316454D+00
      3  -0.114169D+01 -0.814408D-01 -0.196133D+00  0.769610D-01 -0.939012D+00
               141           142           143           144           145 
      1   0.769610D-01 -0.219818D+01 -0.334119D+00 -0.895974D+00 -0.559572D+01
      2  -0.939012D+00 -0.334119D+00 -0.155310D+01 -0.113859D+01  0.306602D+01
      3  -0.124602D+00 -0.895974D+00 -0.113859D+01 -0.773753D+01 -0.515167D+00
               146           147           148           149           150 
      1   0.306602D+01 -0.515167D+00  0.214008D+01 -0.171404D+01  0.148946D+00
      2  -0.345606D+01  0.631711D-01 -0.171404D+01  0.251456D+01 -0.241838D+00
      3   0.631711D-01 -0.103944D+01  0.148946D+00 -0.241838D+00  0.688656D+00
               151           152           153           154           155 
      1  -0.118163D+01  0.599044D+00 -0.754837D+00 -0.633480D+01 -0.197962D+01
      2   0.599044D+00 -0.938433D+00  0.702501D+00 -0.197962D+01 -0.197019D+01
      3  -0.754837D+00  0.702501D+00 -0.134376D+00  0.881810D-02  0.469400D-01
               156           157           158           159           160 
      1   0.881810D-02 -0.431431D+01 -0.186532D+01 -0.154860D+00  0.792445D+00
      2   0.469400D-01 -0.186532D+01 -0.238301D+01  0.211115D+00  0.171196D+00
      3  -0.101020D+01 -0.154860D+00  0.211115D+00 -0.601948D+00 -0.908062D+00
               161           162           163           164           165 
      1   0.171196D+00 -0.908062D+00 -0.526205D+00  0.633323D+00  0.206654D+00
      2   0.378831D+00 -0.248273D+00  0.633323D+00 -0.101137D+01 -0.327267D-01
      3  -0.248273D+00 -0.782155D-01  0.206654D+00 -0.327267D-01  0.684965D-01
               166           167           168           169           170 
      1   0.205541D+01  0.496547D+00 -0.107504D+00  0.500421D+00 -0.132766D-01
      2   0.496547D+00  0.805329D+01  0.492314D+00 -0.132766D-01  0.121528D+01
      3  -0.107504D+00  0.492314D+00  0.111263D+01  0.185312D+00  0.932541D+00
               171           172           173           174           175 
      1   0.185312D+00  0.845417D+01  0.715065D+00 -0.148093D+01 -0.121427D+00
      2   0.932541D+00  0.715065D+00  0.104011D+01  0.157089D+00  0.250526D+01
      3   0.136774D+00 -0.148093D+01  0.157089D+00  0.289871D+00  0.199331D+00
               176           177           178           179           180 
      1   0.250526D+01  0.199331D+00 -0.279971D+01 -0.176872D+00  0.176964D+01
      2  -0.439600D+01 -0.565716D+00 -0.176872D+00 -0.675275D+00  0.803224D-01
      3  -0.565716D+00 -0.850844D+00  0.176964D+01  0.803224D-01 -0.703242D+00
               181           182           183           184           185 
      1   0.726285D+00 -0.108119D+01 -0.523518D+00 -0.226049D+01  0.219371D+01
      2  -0.108119D+01  0.590756D+00  0.875566D-01  0.219371D+01 -0.899192D+01
      3  -0.523518D+00  0.875566D-01  0.249961D+00  0.746006D-01 -0.691966D+00
               186           187           188           189           190 
      1   0.746006D-01 -0.113287D+01  0.375456D+00  0.428556D+00  0.791330D-01
      2  -0.691966D+00  0.375456D+00 -0.149686D+01 -0.118635D+01  0.276403D+00
      3  -0.104583D+01  0.428556D+00 -0.118635D+01  0.731675D-01  0.109477D+01
               191           192           193           194           195 
      1   0.276403D+00  0.109477D+01  0.820586D+00  0.220310D+00  0.503487D-02
      2   0.247366D-01  0.415992D-01  0.220310D+00 -0.694695D+00  0.905860D+00
      3   0.415992D-01 -0.923106D-01  0.503487D-02  0.905860D+00  0.424076D+00
               196           197           198           199           200 
      1   0.216885D+01 -0.254378D+00  0.948922D+00 -0.505282D+00 -0.251705D+00
      2  -0.254378D+00  0.142865D+01 -0.104097D+01 -0.251705D+00  0.696875D-01
      3   0.948922D+00 -0.104097D+01  0.846324D+01  0.430346D+00 -0.146705D+00
               201           202           203           204           205 
      1   0.430346D+00 -0.347817D+00 -0.286667D+00  0.181098D+00  0.187928D+01
      2  -0.146705D+00 -0.286667D+00 -0.144523D+01  0.890017D+00  0.932816D+00
      3   0.322879D+00  0.181098D+00  0.890017D+00 -0.114132D+01 -0.108239D+01
               206           207           208           209           210 
      1   0.932816D+00 -0.108239D+01  0.148632D+00  0.127349D+01  0.141328D+00
      2   0.274277D+01 -0.247303D+01  0.127349D+01 -0.520926D+00 -0.101223D+00
      3  -0.247303D+01  0.593317D+01  0.141328D+00 -0.101223D+00  0.412549D+00
               211           212           213           214           215 
      1   0.326419D+01 -0.499315D+00 -0.319149D+00  0.312970D+00 -0.160903D+00
      2  -0.499315D+00  0.563271D+01 -0.579464D-01 -0.160903D+00  0.307286D+00
      3  -0.319149D+00 -0.579464D-01  0.976941D+00  0.484014D+00  0.351490D+00
               216 
      1   0.484014D+00
      2   0.351490D+00
      3  -0.292987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101712D+01  0.250936D-01 -0.437893D+00 -0.121227D+01  0.204127D+01
      2   0.808123D+00  0.754182D-01  0.144937D+01  0.496954D+00  0.150298D+01
      3  -0.112634D+01 -0.365099D-01 -0.780257D+00  0.538396D+01 -0.718281D+00
                 6             7             8             9            10 
      1   0.608742D+00  0.545368D+00  0.394423D+01 -0.752357D+01 -0.644489D+00
      2   0.295732D+00 -0.271055D+01 -0.652877D-01 -0.478900D+01 -0.227172D+01
      3  -0.261094D+00 -0.417780D+00 -0.122651D+01 -0.929548D+00 -0.227353D+01
                11            12            13            14            15 
      1  -0.157230D+01 -0.680651D+00 -0.268059D+00 -0.152574D+01 -0.183160D+01
      2  -0.258819D+00  0.242620D+00  0.461331D+00 -0.127743D+01 -0.146058D+01
      3  -0.479848D+01 -0.141983D+00  0.914511D+00  0.224416D+01  0.214012D+01
                16            17            18            19            20 
      1  -0.100308D+01  0.208594D+01 -0.590157D+00 -0.164407D+01 -0.508132D-01
      2  -0.365682D+01 -0.899431D+00  0.110024D+02 -0.637821D-01  0.961052D+00
      3  -0.724732D+00  0.143438D+01  0.883001D+00  0.204744D+01 -0.380351D+01
                21            22            23            24            25 
      1   0.624473D+00 -0.896186D+00 -0.128828D+01 -0.862599D+00  0.395258D+00
      2   0.244563D+00  0.569381D+00  0.824307D+00 -0.210071D+00 -0.413120D+01
      3   0.254300D+00  0.251132D+01 -0.366173D+01 -0.127643D+01  0.151645D+01
                26            27            28            29            30 
      1   0.211480D+01  0.488737D+01 -0.142080D+01  0.374562D+00  0.107151D+01
      2   0.336516D+00 -0.413880D+01 -0.163681D+01  0.968962D+00 -0.186366D+01
      3  -0.849252D+00 -0.384038D+00 -0.514477D+01 -0.765313D+01  0.364498D+00
                31            32            33            34            35 
      1  -0.697991D+00  0.124387D+00 -0.475526D+00 -0.334170D+00  0.336009D+01
      2  -0.456170D+00 -0.932595D+00 -0.251505D+01 -0.518278D+01  0.786733D+00
      3  -0.382207D+01  0.504056D+01  0.181408D+01  0.966301D+00  0.855148D+00
                36            37            38            39            40 
      1   0.371332D+01  0.184610D+01 -0.296392D-01 -0.106018D+01  0.413995D+00
      2   0.125673D+02  0.380474D+00  0.437148D-01  0.945003D+01 -0.267733D+00
      3   0.404044D+00 -0.411652D+01 -0.141558D+01 -0.136015D+01  0.171486D+02
                41            42            43            44            45 
      1   0.814536D+00 -0.432596D+01  0.170392D+01  0.196136D+01  0.320599D+00
      2  -0.979767D-01  0.560751D+00 -0.634764D+01 -0.137803D+01  0.101362D+01
      3   0.205905D+01 -0.197724D-01 -0.459087D+01 -0.664786D+00 -0.234702D+00
                46            47            48            49            50 
      1  -0.354660D+00 -0.735419D-01 -0.415571D+00 -0.106551D+01  0.849027D-01
      2   0.126546D+01  0.398040D+00 -0.358695D+01 -0.107509D-01  0.199665D+01
      3   0.706631D+01  0.320092D+01  0.622622D+00 -0.169253D+00 -0.184284D+01
                51            52            53            54            55 
      1  -0.851652D+00 -0.159573D+01  0.317987D+01  0.827904D+01 -0.391106D+01
      2   0.256472D+01 -0.392858D+01 -0.952977D+00 -0.128308D+02 -0.332338D+01
      3  -0.166148D+01  0.181949D+01 -0.176590D+01 -0.398221D+00  0.147572D+02
                56            57            58            59            60 
      1   0.151631D+01 -0.138027D+01  0.198379D+01 -0.352112D+01 -0.580968D+01
      2   0.240031D+01  0.108482D+01  0.569444D+00 -0.202878D+01 -0.470655D+00
      3  -0.491865D+01  0.264708D+01  0.400154D+01  0.839534D+01  0.213952D+00
                61            62            63            64            65 
      1  -0.108470D+01  0.973336D+00 -0.313282D+01  0.114403D+01 -0.328338D-01
      2  -0.429851D+01 -0.132414D+00 -0.115442D+01  0.997103D+00 -0.463937D+00
      3   0.570999D+01  0.143540D+01  0.168301D+01  0.428058D+00 -0.151414D+01
                66            67            68            69            70 
      1  -0.408714D+00  0.218828D-01  0.135929D+01 -0.467242D+00 -0.221137D+00
      2   0.881697D+00 -0.263099D+00  0.483556D+00  0.703136D-02 -0.380205D+01
      3  -0.101049D+01  0.547287D+00  0.176064D+00 -0.658869D+00 -0.239256D+01
                71            72            73            74            75 
      1   0.344522D+01  0.873000D+01 -0.898079D+00  0.950036D-01  0.133635D+01
      2  -0.383583D+00  0.494045D+01  0.495303D+01  0.120842D+01  0.439755D+01
      3  -0.113490D+01  0.770526D+00  0.101689D+02 -0.313340D+00 -0.321323D+00
                76            77            78            79            80 
      1  -0.179812D+01 -0.573279D+00 -0.238319D+01  0.149878D+01  0.307548D+01
      2   0.102356D+01  0.269832D+01 -0.348186D+01 -0.107849D+01 -0.178076D+01
      3   0.725077D+01  0.156009D+02 -0.203026D+01 -0.399551D+00 -0.487490D+01
                81            82            83            84            85 
      1   0.447029D+00  0.708856D-01  0.228824D+00 -0.243424D-01  0.573892D+00
      2   0.281089D+01 -0.196892D+01 -0.897791D-01  0.608069D+00  0.649105D-01
      3   0.957149D+00  0.609600D+00 -0.398961D+00  0.100644D+00  0.150759D+01
                86            87            88            89            90 
      1  -0.413917D+00 -0.140699D+01  0.329573D+00  0.394376D+01 -0.113088D+01
      2  -0.176933D+01  0.918216D+00 -0.313409D+01  0.274821D+00 -0.121675D+02
      3  -0.529662D+00  0.132421D+01  0.271725D+00  0.295955D+01 -0.515489D-01
                91            92            93            94            95 
      1  -0.924608D+00  0.201560D+00  0.496024D+00  0.154076D+00 -0.126520D+01
      2   0.136368D+01  0.283436D+00  0.244974D+00  0.584369D+00  0.300204D+00
      3  -0.321204D+00 -0.940568D+00  0.740600D+00  0.994922D+00  0.281135D+00
                96            97            98            99           100 
      1  -0.530657D+00 -0.401924D+00  0.398151D+01 -0.598315D+01  0.208524D+01
      2  -0.619273D+00 -0.437351D+01  0.325131D+00  0.459818D+01 -0.160144D+01
      3  -0.418845D+00  0.135282D+01 -0.114265D+01 -0.260797D-01  0.983013D+01
               101           102           103           104           105 
      1  -0.234072D+00 -0.204623D+01  0.753381D+00  0.425313D+01 -0.230406D+01
      2  -0.736151D+00  0.491597D+01  0.275007D+00 -0.181943D+01  0.104886D+01
      3  -0.110310D+02 -0.140868D+01 -0.182392D+01  0.134712D+02  0.239550D+01
               106           107           108           109           110 
      1  -0.160136D+01  0.358502D+01  0.172601D+01  0.149812D+01 -0.893207D-01
      2  -0.128088D+01  0.707042D+00 -0.131659D+01  0.299954D+01 -0.323398D+00
      3  -0.389378D+01  0.403239D+01  0.861495D+00  0.363011D+01  0.313234D+01
               111           112           113           114           115 
      1   0.171915D+01 -0.140579D+01  0.674818D+01 -0.121018D+01 -0.120079D+01
      2   0.919523D+00  0.424186D+00  0.307377D+01 -0.215480D+01 -0.482429D+01
      3  -0.127796D+01  0.114209D+02 -0.128349D+02 -0.316080D+01 -0.314445D+01
               116           117           118           119           120 
      1   0.264479D+01 -0.122137D+02 -0.444659D+00  0.127663D+00  0.564037D+00
      2   0.182929D+01 -0.160747D+02 -0.921957D+00 -0.327689D+00  0.159121D+01
      3  -0.370008D+01 -0.152740D+01  0.492679D+00 -0.103441D+00  0.855017D+00
               121           122           123           124           125 
      1  -0.729359D-01 -0.103140D+01 -0.607099D+00  0.357179D+00  0.346083D+01
      2  -0.263637D-01 -0.120853D+01  0.198301D-01 -0.373966D+01 -0.492358D+00
      3   0.192244D+01 -0.100122D+01  0.132993D+01  0.199924D+01  0.230602D+01
               126           127           128           129           130 
      1  -0.382857D+01 -0.833101D-02 -0.439482D+00 -0.179710D+01  0.410314D+00
      2  -0.100584D+02 -0.337418D+00 -0.145507D+01  0.570046D+01  0.468965D+00
      3  -0.267527D+00  0.565056D+01 -0.564301D+01  0.771324D+00  0.592264D+01
               131           132           133           134           135 
      1  -0.120426D+00 -0.309378D+01  0.165497D+01  0.494290D+01 -0.135108D+02
      2   0.780007D+00 -0.836805D+00 -0.122545D+01 -0.315758D+01  0.114700D+02
      3  -0.553822D+01 -0.646482D+00  0.274741D+00 -0.111673D+01  0.252440D+01
               136           137           138           139           140 
      1  -0.136844D+01  0.730781D-01 -0.371641D+00  0.638963D+00 -0.123233D+01
      2   0.190533D+01 -0.260809D-01  0.785890D+00  0.135133D+00  0.101221D+01
      3  -0.636839D+00 -0.124264D+01  0.171761D+01  0.668797D+00  0.914437D+00
               141           142           143           144           145 
      1  -0.598154D+00 -0.615680D+00  0.292225D+01 -0.874524D+01  0.304610D+01
      2  -0.953015D-01 -0.341655D+01  0.120912D+01  0.112492D+02  0.304326D+01
      3  -0.138363D+01  0.319163D+01 -0.186235D+01  0.605984D+00 -0.149237D+02
               146           147           148           149           150 
      1  -0.132807D+01  0.338578D+01 -0.106448D+01  0.121368D+01 -0.175917D+01
      2  -0.168229D+01  0.255550D+01 -0.117814D+01  0.100162D+01 -0.132985D+01
      3   0.276122D+01 -0.188877D+01  0.452108D+01 -0.228151D+01  0.192885D+00
               151           152           153           154           155 
      1   0.220214D+01 -0.100325D+01  0.604498D+00  0.129671D+01  0.782468D+00
      2   0.773253D+00 -0.124581D+01  0.579470D+00 -0.239347D+01 -0.126600D+01
      3  -0.371117D+01  0.430008D+00 -0.113301D+01 -0.972646D+01 -0.890915D+01
               156           157           158           159           160 
      1  -0.367688D+00  0.110162D+01  0.854315D+00 -0.374866D+00 -0.281429D+00
      2   0.367250D+01 -0.158905D+01 -0.165700D+01  0.267070D+01  0.186526D+01
      3   0.183161D+00 -0.754041D+01 -0.122414D+02  0.905572D+00  0.844008D+00
               161           162           163           164           165 
      1   0.844250D+00  0.335894D+00 -0.478949D+00  0.478392D+00  0.247948D+00
      2   0.997443D+00  0.301645D-01  0.456994D+00 -0.155268D+00 -0.246768D+00
      3   0.215286D+01 -0.816297D+00 -0.463200D+01  0.413272D+01  0.832945D+00
               166           167           168           169           170 
      1   0.431997D+00 -0.280071D+01 -0.346502D+01 -0.285621D+00 -0.144792D+01
      2  -0.372034D+00  0.749392D+00  0.160613D+01 -0.875353D+00  0.133137D+01
      3   0.636549D+01 -0.170584D+02 -0.166132D+01  0.190272D+01 -0.312921D+01
               171           172           173           174           175 
      1  -0.519670D+00 -0.103806D+01 -0.839574D+00 -0.142074D+01  0.880198D+00
      2   0.916246D-01 -0.397961D+01 -0.884071D+00  0.755247D+01  0.443619D+00
      3  -0.115485D+01 -0.863365D+01 -0.126986D+02  0.157564D+01 -0.775558D+01
               176           177           178           179           180 
      1   0.170596D+01 -0.325430D+01  0.211546D+01  0.385703D+01  0.191557D+00
      2  -0.145837D+01 -0.141854D+01  0.197344D+01  0.334732D-01 -0.376537D+01
      3   0.194822D+02  0.106315D+01  0.195919D+01  0.386253D+01 -0.194028D+01
               181           182           183           184           185 
      1  -0.138994D+01  0.510306D+00  0.669496D+00  0.810815D+00 -0.473938D+01
      2  -0.134983D+01  0.529100D+00  0.136242D+01  0.450352D+00 -0.185607D+01
      3   0.195411D+01 -0.844666D+00  0.623732D+00  0.842785D+00  0.194926D+02
               186           187           188           189           190 
      1  -0.441995D+01  0.860423D+00 -0.156553D+01 -0.406257D+00  0.191205D+01
      2  -0.283623D+01  0.418678D+00 -0.282008D+01  0.996244D-01  0.338219D+01
      3   0.175993D+01  0.169834D+01  0.306285D+01  0.230460D+01 -0.189871D+00
               191           192           193           194           195 
      1  -0.695361D-01 -0.182710D-01 -0.147166D+00  0.111871D+01  0.587933D+00
      2  -0.119981D+00 -0.373044D-01 -0.757806D+00  0.240563D+01  0.956326D+00
      3  -0.129157D+01 -0.147592D+01 -0.982206D+00  0.117501D+01 -0.199097D+01
               196           197           198           199           200 
      1   0.742664D+00  0.271619D+01  0.120951D+02  0.101304D+01 -0.163043D-01
      2  -0.255809D+01 -0.219179D+01  0.203250D+02 -0.200188D+01 -0.229912D-01
      3  -0.240568D+01 -0.334959D+01  0.197454D+01 -0.315395D+00  0.165728D+00
               201           202           203           204           205 
      1   0.964165D+00  0.452554D+00  0.236278D+01 -0.300476D+01 -0.269322D+01
      2  -0.747809D+00 -0.633168D+00 -0.216192D+01  0.274298D+01  0.936405D-01
      3  -0.119404D+01  0.486617D+00 -0.191288D+01  0.148068D+01 -0.273206D+01
               206           207           208           209           210 
      1  -0.401850D+01  0.154510D+02 -0.403241D+00  0.362231D+00 -0.649645D+00
      2   0.562206D+01 -0.133948D+02  0.146345D+00  0.131806D+00  0.526098D+00
      3   0.367681D+01 -0.303594D+01 -0.512058D+01  0.428108D+01  0.381424D+00
               211           212           213           214           215 
      1   0.149715D+00 -0.335808D+01  0.136511D+00 -0.561117D+00  0.879332D+00
      2  -0.412898D+00 -0.561228D+00  0.403774D+01  0.341185D-01  0.152037D+01
      3   0.508833D+01 -0.281848D+02  0.401974D+00  0.905973D+00 -0.139108D+01
               216 
      1  -0.756838D-02
      2  -0.939773D+00
      3  -0.106932D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.367629D+00 -0.718696D+01  0.996628D-01 -0.483671D+01  0.942676D+01
      2   0.279463D+01  0.944980D+01 -0.604540D+00  0.621213D+01 -0.194683D+02
      3  -0.316226D+01 -0.226284D+01  0.504877D+00 -0.137541D+01  0.100415D+02
      4  -0.431290D+01 -0.876287D+00 -0.691888D+00 -0.779882D+01  0.836995D+01
      5   0.125376D+01 -0.905962D+00  0.152108D+00 -0.249013D+01  0.155478D+01
      6   0.432412D+00  0.121766D+01  0.951334D+00  0.218986D+01 -0.590034D+01
                 6             7             8             9            10 
      1   0.214405D+01  0.114459D+01  0.397586D+01  0.754236D+01 -0.170795D+02
      2  -0.143328D+01  0.228125D+00 -0.966327D+01  0.382955D+01  0.774879D+01
      3  -0.710765D+00 -0.137272D+01  0.568741D+01 -0.113719D+02  0.933074D+01
      4   0.204529D+01 -0.224568D+01  0.329817D+01 -0.222277D-01  0.907848D+01
      5   0.823113D+00  0.136370D+01  0.104271D+01 -0.103830D+02 -0.646671D+01
      6  -0.656782D+01 -0.301074D+00 -0.203499D+01  0.193661D+02  0.380988D+00
                11            12            13            14            15 
      1   0.451353D+01 -0.153585D+01  0.994284D+01  0.716489D+01  0.116175D+01
      2  -0.136160D+01  0.325820D+01 -0.627446D+01 -0.304028D+01 -0.173143D+01
      3  -0.315193D+01 -0.172235D+01 -0.366838D+01 -0.412462D+01  0.569681D+00
      4  -0.289814D+01  0.929131D+00  0.556133D+01 -0.536951D+01 -0.199895D+01
      5   0.851980D+00 -0.369150D+01  0.274182D+01 -0.795449D+00 -0.269085D+01
      6  -0.180089D+01  0.193592D+01 -0.110168D+01  0.282845D+00  0.900398D+00
                16            17            18            19            20 
      1  -0.998019D+01  0.184965D+01  0.538543D+01 -0.512164D+01  0.101392D+01
      2   0.330965D+01 -0.179437D+01  0.678188D+01 -0.521165D+00 -0.607391D+01
      3   0.667054D+01 -0.552711D-01 -0.121673D+02  0.564280D+01  0.505999D+01
      4   0.500175D+01 -0.327486D+01 -0.224428D+01 -0.503946D+01 -0.872559D+01
      5  -0.157828D+01 -0.199427D+01  0.283820D+02  0.280972D+01  0.123294D+01
      6   0.236528D+00  0.142337D+00  0.919213D+00  0.679415D-02  0.138140D+01
                21            22            23            24            25 
      1  -0.526261D+00 -0.632413D+01 -0.423795D+01 -0.167485D+01  0.265971D+01
      2  -0.174689D+01  0.724761D+00  0.311918D+01  0.229015D+00  0.421478D+00
      3   0.227315D+01  0.559936D+01  0.111877D+01  0.144584D+01 -0.308119D+01
      4   0.679379D+00 -0.935287D+01 -0.198173D+01  0.107878D+00  0.383062D+01
      5  -0.313422D+01  0.164579D+01  0.464647D+00 -0.983517D+00  0.270142D+00
      6  -0.171608D+01  0.864896D-01  0.260360D+01 -0.947461D+00 -0.721760D-01
                26            27            28            29            30 
      1  -0.496171D-01  0.524862D+01 -0.103266D+02  0.944464D+01 -0.411189D+01
      2   0.188727D+01  0.857444D+01  0.396824D+01 -0.741066D+01  0.779264D+00
      3  -0.183765D+01 -0.138231D+02  0.635836D+01 -0.203398D+01  0.333262D+01
      4   0.358418D+01  0.115241D+01 -0.153572D+00 -0.725745D+01  0.258590D+01
      5   0.566558D+00 -0.100514D+02 -0.426913D+01  0.128463D+01 -0.723060D+01
      6   0.255332D+01 -0.117206D+02  0.381493D+01 -0.614465D+00  0.320251D+00
                31            32            33            34            35 
      1   0.643018D+01  0.372176D+01 -0.297267D+01 -0.261057D+01  0.203612D+00
      2  -0.430092D+01 -0.373241D+01  0.901324D-01 -0.813962D+00  0.128538D+01
      3  -0.212925D+01  0.106499D-01  0.288253D+01  0.342454D+01 -0.148900D+01
      4  -0.632894D+01 -0.127432D+02 -0.140948D+01  0.206690D+01 -0.173137D+01
      5   0.229322D+00 -0.803380D+00 -0.398565D+01 -0.258130D+01  0.349457D+00
      6  -0.529797D+00  0.169446D+01 -0.154091D+01  0.799770D+00 -0.353446D+00
                36            37            38            39            40 
      1   0.539295D+01  0.102957D+01 -0.215642D+01 -0.982001D+00  0.637322D+00
      2   0.576322D+01  0.113253D+01  0.202903D+01 -0.261491D+00  0.350327D+00
      3  -0.111562D+02 -0.216210D+01  0.127385D+00  0.124349D+01 -0.987650D+00
      4   0.574127D+00 -0.311410D+01  0.149037D+02 -0.182700D+01  0.130279D+02
      5   0.222625D+02  0.140471D+01 -0.267463D+00  0.159902D+02 -0.132538D+01
      6  -0.914435D+01 -0.193856D+01  0.164144D+01  0.196203D+01 -0.447131D+00
                41            42            43            44            45 
      1  -0.142682D+02  0.366668D+01  0.865316D+00  0.272239D+01 -0.585005D+01
      2   0.194479D+02 -0.138172D+01 -0.187909D+01 -0.344640D+01 -0.392648D+00
      3  -0.517971D+01 -0.228497D+01  0.101377D+01  0.724016D+00  0.624270D+01
      4   0.245741D+01 -0.407002D+00 -0.685112D+01 -0.341220D+00 -0.132764D+01
      5  -0.700085D+00  0.167650D+01  0.436989D+01 -0.345293D+00  0.172479D+01
      6  -0.361269D+01  0.508633D+01 -0.878418D+00  0.646704D+01  0.355271D+00
                46            47            48            49            50 
      1  -0.868257D+01  0.324238D+01  0.429499D+01 -0.793115D+01 -0.330036D+01
      2   0.422518D+01 -0.791977D+01 -0.145903D+01 -0.540976D-01 -0.412281D+01
      3   0.445738D+01  0.467738D+01 -0.283596D+01  0.798524D+01  0.742317D+01
      4   0.250874D+01 -0.181396D+02 -0.744053D+00 -0.172005D+02 -0.349666D+01
      5   0.926949D+00 -0.616524D+00 -0.870951D+01  0.171090D+01  0.946851D+00
      6  -0.115015D+00 -0.224546D+01 -0.191823D+01  0.663979D+00  0.171963D+01
                51            52            53            54            55 
      1  -0.105433D+01  0.422315D+01 -0.752361D+00  0.804990D+01 -0.400041D+01
      2  -0.537127D+00  0.807097D+00  0.598802D+01  0.765547D+01 -0.288175D+01
      3   0.159146D+01 -0.503025D+01 -0.523566D+01 -0.157054D+02  0.688216D+01
      4   0.177025D+01  0.277055D+01  0.243971D+01  0.158590D+01  0.210536D+02
      5   0.331495D+01 -0.189381D+01 -0.579754D-01 -0.240985D+02 -0.219102D+01
      6  -0.130971D+01  0.332265D+00 -0.229923D+00 -0.209070D+02  0.643106D+01
                56            57            58            59            60 
      1   0.920480D+00 -0.239252D+01  0.298560D+01 -0.301936D+02 -0.556799D+01
      2   0.427258D+01  0.566341D+00 -0.170113D+01  0.461657D+02  0.491677D+01
      3  -0.519306D+01  0.182618D+01 -0.128447D+01 -0.159720D+02  0.651215D+00
      4  -0.470280D+01  0.532194D+01  0.338235D+01 -0.134748D+02 -0.379209D+01
      5   0.100496D+01  0.356670D+01  0.146354D+01 -0.281804D+01 -0.152788D+01
      6  -0.176985D+01  0.172309D+01 -0.252926D+01  0.104168D+02  0.111518D+02
                61            62            63            64            65 
      1  -0.182931D+01 -0.899097D+01 -0.832628D+01  0.268881D-01  0.638172D+00
      2  -0.201012D+01  0.150882D+02  0.415118D+01 -0.310154D+01 -0.796463D+00
      3   0.383943D+01 -0.609724D+01  0.417510D+01  0.307465D+01  0.158292D+00
      4   0.103059D+02 -0.963916D+01 -0.174859D+01  0.905983D+00  0.202734D+01
      5   0.346070D+01 -0.344885D+01 -0.249370D+01  0.116681D+01 -0.914280D+00
      6  -0.793313D-01  0.135002D+02  0.666163D+01 -0.297381D+01 -0.479568D+00
                66            67            68            69            70 
      1   0.160496D+01  0.591768D+00 -0.409831D+01  0.267235D+01  0.193095D+01
      2  -0.590176D+00 -0.817272D+00  0.287021D+01 -0.341304D+01 -0.608705D+00
      3  -0.101479D+01  0.225504D+00  0.122810D+01  0.740696D+00 -0.132225D+01
      4  -0.247025D+01  0.200169D+01 -0.136721D+01  0.137187D+01 -0.339310D+01
      5   0.582608D+01 -0.492153D-01  0.119690D+01 -0.139004D+00  0.369913D+01
      6   0.817943D+00 -0.572102D-01 -0.360462D+01  0.613262D+01 -0.292932D+00
                71            72            73            74            75 
      1   0.472959D+01 -0.149419D+02  0.239820D+02 -0.199874D+02  0.477108D+01
      2  -0.454114D+01 -0.114516D+02 -0.132753D+02  0.101706D+02 -0.537978D+01
      3  -0.188442D+00  0.263935D+02 -0.107067D+02  0.981683D+01  0.608703D+00
      4   0.283420D+01 -0.517530D+00 -0.256313D+02  0.536576D+01 -0.647052D+00
      5  -0.112168D+01  0.981145D+01  0.906325D+01 -0.309188D+00  0.816075D+01
      6   0.606234D+01 -0.212554D+02 -0.238208D+01  0.775163D+00 -0.239666D+01
                76            77            78            79            80 
      1  -0.383817D+02 -0.615856D+01 -0.422884D+00  0.171197D+02  0.149468D+00
      2   0.216090D+02  0.761621D+01  0.972592D+00 -0.107260D+02 -0.867514D-02
      3   0.167728D+02 -0.145765D+01 -0.549708D+00 -0.639370D+01 -0.140793D+00
      4   0.523982D+01 -0.192233D+02  0.470141D+01 -0.322241D+01  0.692480D+01
      5  -0.280134D+01  0.503740D+01 -0.537909D+01  0.135467D+02 -0.409642D+01
      6   0.291083D+00 -0.184365D+01  0.499196D+01 -0.235929D+01  0.422778D+01
                81            82            83            84            85 
      1   0.353044D+01  0.276655D+01 -0.929916D+00 -0.438388D+01 -0.766870D+00
      2  -0.681948D+01 -0.413577D+01  0.383201D+00  0.269507D+01  0.342234D+00
      3   0.328905D+01  0.136922D+01  0.546715D+00  0.168882D+01  0.424636D+00
      4  -0.438430D+01 -0.105819D+01  0.991912D+00  0.237570D+00  0.119526D+01
      5   0.611391D+01 -0.446940D+01 -0.238541D+00  0.606685D+01 -0.474033D+00
      6  -0.117408D+01  0.228120D+00 -0.988245D-03  0.186857D+00 -0.106637D+01
                86            87            88            89            90 
      1  -0.360974D+01  0.335207D+00 -0.671887D+01  0.906036D-01 -0.125278D+02
      2   0.418602D+00  0.809923D+00  0.565242D+01  0.596562D+00 -0.145175D+02
      3   0.319114D+01 -0.114513D+01  0.106645D+01 -0.687166D+00  0.270453D+02
      4   0.159149D+01 -0.405520D+01  0.150190D+00 -0.491411D+01  0.104921D+01
      5  -0.416522D+01  0.198820D+01  0.701379D+01  0.136363D+01 -0.285924D+02
      6  -0.957865D-01  0.688636D+01 -0.105767D+00  0.421224D+01  0.124329D+01
                91            92            93            94            95 
      1   0.606542D-01 -0.360136D+00  0.199469D+01 -0.387271D+00 -0.190054D+01
      2  -0.254701D+01  0.663374D+00 -0.509174D+00  0.528017D+00 -0.960585D+00
      3   0.248636D+01 -0.303237D+00 -0.148552D+01 -0.140747D+00  0.286113D+01
      4  -0.182707D+00  0.218684D+01  0.147696D+01  0.269894D+01 -0.483239D-01
      5   0.165355D+01  0.144894D+00  0.511696D+01 -0.162822D+00  0.127931D+01
      6   0.168359D+01 -0.155505D+00 -0.622377D+00  0.233654D+00  0.136390D+01
                96            97            98            99           100 
      1  -0.496276D+00  0.217310D+01 -0.199274D+01 -0.150983D+02  0.233893D+02
      2   0.222605D+01 -0.164071D+01  0.292929D+01 -0.142171D+02 -0.925031D+01
      3  -0.172978D+01 -0.532393D+00 -0.936549D+00  0.293154D+02 -0.141390D+02
      4   0.153207D+01  0.247247D+01  0.265668D+01  0.305809D+00  0.200712D+02
      5  -0.759007D+00  0.462571D+01  0.308083D+00  0.107663D+02 -0.372522D+01
      6   0.560713D+01  0.546400D+00  0.418169D+01  0.124760D+02 -0.251346D+01
               101           102           103           104           105 
      1  -0.549576D+01 -0.206195D+01 -0.102553D+01  0.157632D+02  0.401780D+01
      2   0.134109D+02  0.299258D+01  0.596942D+01 -0.162074D+02 -0.400833D+01
      3  -0.791514D+01 -0.930621D+00 -0.494389D+01  0.444239D+00 -0.947580D-02
      4   0.220424D+02 -0.173473D+01  0.171000D+02 -0.594723D+00 -0.274296D+01
      5  -0.157622D+00  0.863490D+01 -0.386120D+00 -0.423841D+01  0.155889D+01
      6   0.551865D-01  0.343260D+01  0.925338D-01 -0.562614D+01  0.509591D+01
               106           107           108           109           110 
      1  -0.502350D+01  0.493149D+01  0.113781D+00 -0.940315D+01 -0.109716D+02
      2   0.186640D+01 -0.857438D+01 -0.313637D+01  0.767374D+01  0.515565D+01
      3   0.315710D+01  0.364290D+01  0.302259D+01  0.172941D+01  0.581591D+01
      4  -0.609218D+01 -0.762362D+01  0.405854D+01 -0.127555D+02  0.116069D+01
      5   0.812075D+01  0.245744D+01 -0.226575D+01  0.117502D+02 -0.202783D+01
      6   0.494300D+01  0.513124D+01 -0.326804D+01 -0.654640D+01  0.351837D+01
               111           112           113           114           115 
      1   0.391215D+01 -0.236579D+02  0.999935D+01  0.216658D+01  0.181120D+02
      2  -0.502337D+01  0.179609D+02 -0.260443D+02 -0.579907D+01 -0.801832D+01
      3   0.111122D+01  0.569700D+01  0.160449D+02  0.363249D+01 -0.100937D+02
      4  -0.471471D+01 -0.555036D+01  0.298693D+02  0.525740D+01 -0.180418D+01
      5  -0.173516D+01  0.147377D+01  0.537590D+01 -0.424871D+01 -0.210875D+01
      6  -0.330419D+01  0.437495D+00 -0.326627D+01  0.179931D+00  0.585189D+00
               116           117           118           119           120 
      1   0.167882D+01  0.124644D+02  0.239992D+01 -0.164223D+01 -0.195329D+01
      2  -0.461942D+01  0.688515D+01 -0.365786D+01  0.922633D+00  0.156829D+01
      3   0.294060D+01 -0.193495D+02  0.125794D+01  0.719596D+00  0.385000D+00
      4   0.714080D+01  0.361687D+01 -0.225292D+01  0.236199D+01  0.101099D+01
      5   0.324092D+01 -0.342215D+02 -0.287816D+01 -0.114892D+00  0.720563D+01
      6  -0.169862D+01  0.153533D+02  0.109856D+01  0.229986D-01 -0.657776D+00
               121           122           123           124           125 
      1  -0.128543D+01 -0.351046D+01 -0.676045D+00 -0.455590D+01 -0.115908D+01
      2   0.412453D+00  0.953584D+00  0.139380D+01  0.551286D+01  0.802385D+00
      3   0.872979D+00  0.255687D+01 -0.717758D+00 -0.956963D+00  0.356695D+00
      4   0.262541D+01  0.518495D+00 -0.187206D+01  0.287815D+01 -0.257683D+01
      5  -0.519633D-01 -0.268012D+01  0.595772D+00  0.637881D+01 -0.111031D+01
      6  -0.476781D+00  0.151030D+01  0.630397D+01 -0.114171D+01  0.471253D+01
               126           127           128           129           130 
      1  -0.149855D+02  0.174261D+02  0.190012D+01  0.472810D+00  0.578601D+01
      2  -0.126130D+02 -0.855998D+00  0.921915D+01  0.515284D+00  0.578379D+01
      3   0.275986D+02 -0.165701D+02 -0.111193D+02 -0.988093D+00 -0.115698D+02
      4  -0.117315D+01  0.237561D+02  0.268977D+02 -0.320706D+00  0.262429D+02
      5  -0.193102D+02 -0.177489D+01 -0.670004D+00  0.802246D+01  0.256976D+00
      6   0.962215D+01 -0.182084D+00 -0.943426D+00  0.416156D+01  0.841959D+00
               131           132           133           134           135 
      1  -0.625498D+01 -0.129321D+01 -0.697366D+00 -0.411642D+01  0.588911D+01
      2   0.262686D+02  0.203484D+01  0.123116D+01  0.373252D+01 -0.261612D+01
      3  -0.200137D+02 -0.741626D+00 -0.533796D+00  0.383899D+00 -0.327299D+01
      4   0.289561D+02  0.183801D+01  0.380322D+01  0.603013D+01 -0.198369D+01
      5   0.148895D+01 -0.468695D+00  0.435162D+01 -0.275410D+01  0.193578D+02
      6   0.165530D+01  0.352386D+01  0.755399D+00 -0.104360D+01  0.236972D+02
               136           137           138           139           140 
      1   0.852914D-01  0.541682D+00  0.318024D+01 -0.259407D+00 -0.295963D+01
      2  -0.247669D+01  0.322803D-01 -0.142623D+01  0.106967D+01  0.120206D+01
      3   0.239139D+01 -0.573962D+00 -0.175402D+01 -0.810259D+00  0.175757D+01
      4   0.122304D+01  0.384367D+01  0.282148D+01  0.379454D+01  0.148349D+01
      5   0.357993D+01  0.659062D+00  0.680082D+01 -0.252642D+00  0.242958D+01
      6   0.325179D+01 -0.128532D+00  0.550133D+00  0.106143D+00  0.333543D+01
               141           142           143           144           145 
      1  -0.180221D+01  0.276953D+01 -0.393143D+01 -0.160121D+02  0.105782D+02
      2   0.320775D+01 -0.311345D+01  0.248777D+01 -0.126178D+02  0.525382D+01
      3  -0.140554D+01  0.343923D+00  0.144366D+01  0.286299D+02 -0.158320D+02
      4   0.201840D+01  0.531069D+01  0.517756D+01  0.279051D+01 -0.316526D+02
      5  -0.393186D+00  0.719275D+01  0.318081D+01  0.213389D+02  0.468841D-01
      6   0.645245D+01  0.262774D+01  0.740167D+01  0.215323D+02 -0.318201D+01
               146           147           148           149           150 
      1   0.179468D-01  0.181606D+01 -0.865026D+00 -0.237482D+01  0.175754D+00
      2  -0.123475D+02  0.360376D+00 -0.639762D+01  0.112425D+02 -0.135142D+01
      3   0.123295D+02 -0.217644D+01  0.726265D+01 -0.886770D+01  0.117566D+01
      4   0.224538D+02 -0.292925D+01  0.146738D+02 -0.129864D+02  0.150596D+01
      5   0.261494D+00  0.303302D+01  0.189442D+00  0.436129D+00 -0.191750D+01
      6   0.667287D+00 -0.523279D+01  0.994833D+00 -0.109152D+01  0.307515D+01
               151           152           153           154           155 
      1   0.161122D+01  0.101415D+01 -0.245172D+00  0.440698D+02  0.145221D+02
      2   0.130694D+01 -0.369919D+01  0.817738D+00 -0.240558D+02 -0.825279D+01
      3  -0.291816D+01  0.268504D+01 -0.572566D+00 -0.200139D+02 -0.626927D+01
      4  -0.659282D+01  0.462911D+01 -0.468419D+01  0.117560D+02  0.118060D+02
      5   0.383920D+01 -0.236867D+01  0.958830D+00  0.601746D+00 -0.215738D-02
      6  -0.435574D+01  0.457730D+01 -0.928375D+00  0.112903D+01  0.102920D+01
               156           157           158           159           160 
      1  -0.907595D+00  0.292292D+02  0.121283D+02  0.154035D+00 -0.550209D+01
      2  -0.497355D-01 -0.164656D+02 -0.550349D+01 -0.530004D+00  0.309160D+01
      3   0.957331D+00 -0.127636D+02 -0.662485D+01  0.375969D+00  0.241048D+01
      4  -0.282410D+00  0.129431D+02  0.135855D+02 -0.108795D+01 -0.111936D+01
      5   0.616707D+01  0.106698D+01 -0.111098D+01  0.400016D+01  0.725662D+01
      6   0.351744D-01  0.117694D+01  0.924873D+00  0.232420D+00  0.626180D+00
               161           162           163           164           165 
      1  -0.145417D+01  0.424292D+01 -0.142504D+01  0.544935D+01  0.651014D+00
      2   0.678865D+00 -0.376566D+01  0.271029D+01 -0.640985D+01 -0.671580D+00
      3   0.775302D+00 -0.477258D+00 -0.128525D+01  0.960497D+00  0.205661D-01
      4  -0.207826D+01  0.190989D+01 -0.809888D+00  0.503671D+00  0.512250D+00
      5   0.220127D+01  0.284144D+00  0.450786D+00 -0.251990D+00 -0.179047D+00
      6   0.123522D+01 -0.405321D+00  0.103059D+01 -0.355486D+00 -0.423954D-01
               166           167           168           169           170 
      1   0.450493D+01 -0.249558D+02 -0.176202D+01  0.113766D+01 -0.410199D+01
      2  -0.829261D+00  0.414460D+02  0.303965D+01 -0.694728D+00  0.584541D+01
      3  -0.367566D+01 -0.164902D+02 -0.127763D+01 -0.442929D+00 -0.174343D+01
      4   0.680106D+01  0.222845D+02  0.137881D+01  0.124108D+01  0.349021D+01
      5  -0.221704D+00  0.239883D+01  0.305585D+01  0.123961D+01  0.256619D+01
      6  -0.139692D+00  0.319602D+01  0.503902D+01  0.628173D+00  0.640026D+01
               171           172           173           174           175 
      1  -0.354852D+01  0.710424D+02  0.267747D+01 -0.650209D+01  0.206382D+01
      2   0.345246D+01 -0.410852D+02 -0.957244D+00  0.679336D+01 -0.277856D+01
      3   0.960630D-01 -0.299572D+02 -0.172023D+01 -0.291263D+00  0.714740D+00
      4   0.239706D+01 -0.423031D+01  0.137531D+02  0.217533D+01  0.188323D+02
      5   0.196009D+00 -0.119479D+02  0.855943D+00  0.137093D+02  0.417556D+00
      6   0.128076D+01  0.311252D+01 -0.168095D+01  0.938442D+00 -0.110781D+01
               176           177           178           179           180 
      1   0.111688D+02  0.207098D+01 -0.194560D+02 -0.635512D+00  0.814967D+01
      2  -0.195768D+01  0.778095D+00  0.120380D+02 -0.115384D+00 -0.111566D+02
      3  -0.921113D+01 -0.284907D+01  0.741805D+01  0.750896D+00  0.300695D+01
      4  -0.262681D+02 -0.386148D+01  0.106030D+01 -0.520677D+01 -0.139282D+01
      5  -0.421432D+01 -0.262959D+01  0.192472D+02  0.572947D+00 -0.790490D+01
      6   0.145847D+01  0.647029D+01 -0.240716D+01  0.358166D+01  0.130433D+00
               181           182           183           184           185 
      1   0.320345D+01 -0.590301D+01 -0.267727D+01 -0.575342D+01 -0.173151D+02
      2   0.264745D+01  0.121126D+01  0.867998D+00 -0.368564D+01  0.412111D+02
      3  -0.585090D+01  0.469176D+01  0.180927D+01  0.943905D+01 -0.238960D+02
      4  -0.825677D+01  0.100047D+02  0.148586D+01  0.179998D+02 -0.458165D+02
      5  -0.249749D+01  0.418343D+00  0.232144D+01  0.207794D+00 -0.280440D+01
      6   0.158168D+01 -0.450361D+00 -0.803433D+00  0.234243D+00  0.155750D+01
               186           187           188           189           190 
      1  -0.143080D+01 -0.467144D+01 -0.265980D+01 -0.327136D+01  0.115630D+01
      2   0.363307D+01  0.120501D+01  0.595699D+01  0.292406D+01 -0.398068D+01
      3  -0.220227D+01  0.346643D+01 -0.329719D+01  0.347294D+00  0.282438D+01
      4  -0.321187D+01  0.410969D+01 -0.756851D+01 -0.606228D+01  0.761317D+00
      5  -0.562389D+01  0.332214D+01 -0.612530D+01  0.496679D+00  0.624173D+01
      6   0.637111D+01 -0.185149D+01  0.715611D+01  0.175749D+01 -0.199309D+01
               191           192           193           194           195 
      1   0.123589D+01  0.726176D+01  0.484586D+01 -0.375145D+01  0.898969D+00
      2  -0.108412D+01 -0.367157D+01 -0.365367D+01  0.275416D+01 -0.254878D+01
      3  -0.151776D+00 -0.359019D+01 -0.119219D+01  0.997285D+00  0.164981D+01
      4   0.138181D+01 -0.206814D+01  0.129929D+01 -0.379335D+01  0.424605D+01
      5  -0.564473D+00  0.554063D+01  0.133360D+00  0.457619D+01  0.219515D+01
      6  -0.587947D+00  0.450971D+00  0.500924D+00 -0.165423D+01  0.412629D+01
               196           197           198           199           200 
      1   0.942145D+01  0.315080D+01 -0.174304D+02  0.152762D+01  0.259934D+01
      2  -0.710193D+01 -0.203969D+01 -0.132705D+02 -0.120420D+01 -0.154414D+01
      3  -0.231952D+01 -0.111111D+01  0.307009D+02 -0.323420D+00 -0.105520D+01
      4  -0.440145D+01  0.654723D+01 -0.566712D+01  0.231703D+01  0.161718D+01
      5   0.987379D+01 -0.559348D+01  0.425958D+02 -0.196064D+01 -0.550711D+00
      6  -0.252117D+01  0.751051D+01 -0.189844D+02 -0.218734D+01  0.982983D+00
               201           202           203           204           205 
      1  -0.352351D+01  0.660119D+00 -0.494427D+01  0.272807D+01 -0.397482D+01
      2   0.167158D+01  0.798907D+00  0.721748D+01 -0.447451D+01  0.121387D+01
      3   0.185192D+01 -0.145903D+01 -0.227321D+01  0.174644D+01  0.276095D+01
      4  -0.203019D+01  0.275451D+01  0.500151D+01 -0.341955D+01 -0.874164D+01
      5   0.587036D+00 -0.880904D+00 -0.317705D+01  0.430021D+01  0.591846D+01
      6  -0.198046D+01 -0.121149D+01 -0.555437D+01  0.724063D+01  0.498524D+01
               206           207           208           209           210 
      1   0.696418D+01 -0.104237D+02  0.655914D+00  0.731468D+01  0.110228D+01
      2  -0.817854D+01  0.211345D+01  0.101038D+01 -0.346158D+01 -0.476572D+00
      3   0.121436D+01  0.831026D+01 -0.166629D+01 -0.385310D+01 -0.625705D+00
      4  -0.110641D+02  0.959245D+01  0.706733D+01 -0.948579D+00 -0.397563D+00
      5   0.950874D+01 -0.231385D+02  0.933239D+00 -0.743763D+00  0.118022D+01
      6   0.140218D+02 -0.282707D+02 -0.168209D+00 -0.782645D-01  0.120807D+01
               211           212           213           214           215 
      1   0.230978D+02 -0.204194D+01 -0.195814D+01  0.204990D+01 -0.535750D+00
      2  -0.134050D+02  0.210920D+01  0.171543D+01 -0.107938D+01  0.482592D+00
      3  -0.969274D+01 -0.672620D-01  0.242704D+00 -0.970528D+00  0.531575D-01
      4  -0.114606D+01  0.340948D+02 -0.212125D+00 -0.537565D+00  0.126604D+01
      5  -0.244100D+01  0.321992D+00  0.723776D+01  0.386785D+01  0.270631D+01
      6   0.519783D+00 -0.109066D+01 -0.109963D+01  0.349085D+00  0.203923D+01
               216 
      1   0.105021D+01
      2  -0.197559D+01
      3   0.925382D+00
      4   0.217504D+01
      5  -0.212677D+01
      6   0.419679D-01
 Leave Link  716 at Fri Aug 13 11:45:25 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110796D+03  0.104871D+01 -0.297314D+00
      2   0.104871D+01  0.997539D+02 -0.162117D+01
      3  -0.297314D+00 -0.162117D+01  0.834021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.170312D+01 -0.445160D+01  0.637098D+01
      2  -0.363280D+01  0.117159D+00  0.439014D+01
      3  -0.595359D+01 -0.108188D+02  0.123309D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.272788D+02 -0.119595D+02 -0.168164D+02
      2  -0.225618D+02  0.134172D+02  0.113288D+02
      3  -0.471703D+01 -0.145769D+01  0.548752D+01
      4  -0.192930D+02 -0.729918D+01 -0.906165D+00
      5  -0.787507D+01 -0.236575D+01  0.722065D+01
      6  -0.234150D+00  0.131267D+02 -0.117203D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264004D+01  0.202813D+01 -0.731736D+00  0.128891D+01  0.207426D+01
      2   0.202813D+01  0.198755D+01  0.147143D+00  0.207426D+01 -0.339387D+01
      3  -0.731736D+00  0.147143D+00 -0.439639D+00  0.250866D+00 -0.113250D+01
                 6             7             8             9            10 
      1   0.250866D+00 -0.968521D+00  0.513277D+00 -0.446045D+00  0.297405D+01
      2  -0.113250D+01  0.513277D+00 -0.194259D+01 -0.587892D+00 -0.166937D+01
      3   0.370505D+00 -0.446045D+00 -0.587892D+00  0.773828D+01  0.107735D+01
                11            12            13            14            15 
      1  -0.166937D+01  0.107735D+01 -0.246338D+01 -0.208822D+01 -0.490181D+00
      2  -0.129729D+01 -0.229629D+00 -0.208822D+01  0.166282D+01  0.737387D+00
      3  -0.229629D+00 -0.727101D+00 -0.490181D+00  0.737387D+00  0.103569D+01
                16            17            18            19            20 
      1   0.180796D+01 -0.689466D+00  0.323847D+00  0.138469D+01 -0.210920D+01
      2  -0.689466D+00  0.932780D+00  0.470798D+00 -0.210920D+01 -0.191771D+01
      3   0.323847D+00  0.470798D+00 -0.806172D+01  0.883417D+00  0.146800D+00
                21            22            23            24            25 
      1   0.883417D+00 -0.319801D+01 -0.259014D+01  0.928970D-01  0.169885D+01
      2   0.146800D+00 -0.259014D+01  0.235374D+01  0.847007D+00  0.255587D+00
      3   0.671009D+00  0.928970D-01  0.847007D+00  0.102844D+01  0.117203D+00
                26            27            28            29            30 
      1   0.255587D+00  0.117203D+00 -0.293968D+00  0.315766D+01 -0.108197D+01
      2   0.161657D+01  0.553672D+00  0.315766D+01  0.141931D+01 -0.128419D-01
      3   0.553672D+00 -0.741205D+01 -0.108197D+01 -0.128419D-01 -0.830953D+00
                31            32            33            34            35 
      1   0.356189D+01  0.253605D+01  0.734263D-01 -0.143085D+01  0.185831D+00
      2   0.253605D+01 -0.318020D+01 -0.886808D+00  0.185831D+00 -0.147512D+01
      3   0.734263D-01 -0.886808D+00 -0.623358D+00 -0.444898D+00  0.122453D-01
                36            37            38            39            40 
      1  -0.444898D+00  0.213631D+01 -0.275848D+01  0.604335D+00 -0.413164D+01
      2   0.122453D-01 -0.275848D+01 -0.314286D+00 -0.459570D+00 -0.896970D+00
      3   0.781553D+01  0.604335D+00 -0.459570D+00  0.361437D-01 -0.931307D-01
                41            42            43            44            45 
      1  -0.896970D+00 -0.931307D-01  0.289615D+01  0.253503D+00  0.199250D+00
      2  -0.326980D+01  0.972559D+00  0.253503D+00  0.131227D+01 -0.743303D+00
      3   0.972559D+00  0.456279D+00  0.199250D+00 -0.743303D+00 -0.966194D+00
                46            47            48            49            50 
      1  -0.381166D+01  0.546506D+00 -0.326814D+00  0.303305D+01  0.200087D+01
      2   0.546506D+00  0.175985D+01  0.783732D+00  0.200087D+01 -0.158880D+01
      3  -0.326814D+00  0.783732D+00 -0.357333D+00  0.856252D-01 -0.616048D+00
                51            52            53            54            55 
      1   0.856252D-01 -0.151162D+01  0.229077D+00  0.309389D-01  0.424218D+01
      2  -0.616048D+00  0.229077D+00 -0.129569D+01 -0.808915D-01 -0.849606D+00
      3  -0.173944D+01  0.309389D-01 -0.808915D-01  0.791672D+01  0.129989D+01
                56            57            58            59            60 
      1  -0.849606D+00  0.129989D+01 -0.232707D+00 -0.154983D+00 -0.266976D+00
      2   0.165552D+01 -0.154088D+00 -0.154983D+00  0.762586D+01  0.132307D+01
      3  -0.154088D+00  0.742704D+00 -0.266976D+00  0.132307D+01 -0.101693D+00
                61            62            63            64            65 
      1   0.197325D+01 -0.974413D+00  0.966392D-01  0.468209D+00 -0.330738D+00
      2  -0.974413D+00  0.321898D+01  0.152660D+01 -0.330738D+00 -0.330311D+00
      3   0.966392D-01  0.152660D+01  0.423747D+00 -0.902269D+00 -0.179864D-01
                66            67            68            69            70 
      1  -0.902269D+00 -0.165309D+00 -0.334988D+00  0.898385D-02 -0.169152D+01
      2  -0.179864D-01 -0.334988D+00  0.795760D+00 -0.105435D+01  0.112757D+00
      3   0.158898D+00  0.898385D-02 -0.105435D+01  0.336669D+00 -0.209266D-01
                71            72            73            74            75 
      1   0.112757D+00 -0.209266D-01 -0.396471D+01  0.322289D+01 -0.108604D+01
      2  -0.187936D+01  0.829498D+00  0.322289D+01  0.719003D+00 -0.906206D-01
      3   0.829498D+00 -0.735821D+01 -0.108604D+01 -0.906206D-01  0.675624D+00
                76            77            78            79            80 
      1   0.619492D+01 -0.335919D+00  0.318408D+00 -0.303265D+01  0.201269D+00
      2  -0.335919D+00  0.332773D+01 -0.922489D+00  0.201269D+00 -0.112665D+01
      3   0.318408D+00 -0.922489D+00  0.562653D+00 -0.130607D+01  0.525235D+00
                81            82            83            84            85 
      1  -0.130607D+01 -0.708372D+00  0.332041D+00  0.104228D+01  0.271960D+00
      2   0.525235D+00  0.332041D+00  0.233419D+00  0.370388D-01  0.263643D+00
      3  -0.376033D+00  0.104228D+01  0.370388D-01 -0.257894D+00  0.685101D-01
                86            87            88            89            90 
      1   0.263643D+00  0.685101D-01  0.201791D+01  0.110576D+00 -0.775760D+00
      2  -0.463943D+00  0.101334D+01  0.110576D+00  0.157411D+01 -0.256610D+00
      3   0.101334D+01 -0.514151D+00 -0.775760D+00 -0.256610D+00  0.756245D+01
                91            92            93            94            95 
      1  -0.275060D+00  0.219209D+00  0.984941D+00  0.294639D+00  0.445986D+00
      2   0.219209D+00  0.422753D+00  0.578998D-01  0.445986D+00 -0.414557D+00
      3   0.984941D+00  0.578998D-01 -0.956418D-01  0.734736D-01  0.884539D+00
                96            97            98            99           100 
      1   0.734736D-01  0.185528D+01  0.425411D-02  0.322138D+00  0.612333D+01
      2   0.884539D+00  0.425411D-02  0.166252D+01  0.169652D+00  0.188005D+01
      3  -0.285888D+00  0.322138D+00  0.169652D+00  0.726669D+01 -0.830707D+00
               101           102           103           104           105 
      1   0.188005D+01 -0.830707D+00  0.878822D+00  0.308084D+01  0.167942D+00
      2   0.371398D+01  0.167153D+00  0.308084D+01 -0.280853D+01 -0.100592D+01
      3   0.167153D+00 -0.135674D-01  0.167942D+00 -0.100592D+01 -0.673716D+00
               106           107           108           109           110 
      1  -0.183581D+01 -0.475561D+00  0.108903D+01  0.114227D+01 -0.287096D+01
      2  -0.475561D+00 -0.217710D+01  0.484522D+00 -0.287096D+01  0.407485D+00
      3   0.108903D+01  0.484522D+00 -0.202661D+00  0.176879D+01 -0.344226D+00
               111           112           113           114           115 
      1   0.176879D+01 -0.277342D+01 -0.165168D+01  0.491053D-01  0.283980D+01
      2  -0.344226D+00 -0.165168D+01  0.630633D+01  0.127519D+01  0.423466D-01
      3   0.906311D+00  0.491053D-01  0.127519D+01 -0.338649D+00 -0.202491D+00
               116           117           118           119           120 
      1   0.423466D-01 -0.202491D+00  0.881280D+00 -0.567951D+00 -0.103229D+01
      2   0.130975D+01  0.630887D+00 -0.567951D+00 -0.620412D-01 -0.270538D-01
      3   0.630887D+00 -0.737838D+01 -0.103229D+01 -0.270538D-01  0.623822D+00
               121           122           123           124           125 
      1  -0.625491D+00 -0.891509D-01 -0.759666D-01 -0.233967D+01 -0.956528D-01
      2  -0.891509D-01  0.256967D+00 -0.935349D+00 -0.956528D-01 -0.138089D+01
      3  -0.759666D-01 -0.935349D+00 -0.438108D-01  0.852802D+00 -0.469955D+00
               126           127           128           129           130 
      1   0.852802D+00 -0.411105D+01 -0.252085D+01  0.110219D+00 -0.274590D+01
      2  -0.469955D+00 -0.252085D+01 -0.275315D+01 -0.380106D-01 -0.277146D+01
      3  -0.739616D+01  0.110219D+00 -0.380106D-01 -0.980628D-01 -0.367442D+00
               131           132           133           134           135 
      1  -0.277146D+01 -0.367442D+00 -0.620128D+00 -0.812349D+00 -0.108395D-01
      2  -0.518276D+01 -0.502444D+00 -0.812349D+00 -0.175875D+01  0.955895D+00
      3  -0.502444D+00  0.109271D+01 -0.108395D-01  0.955895D+00 -0.523200D+01
               136           137           138           139           140 
      1   0.634389D-02 -0.361125D+00 -0.114169D+01 -0.424574D+00 -0.538625D+00
      2  -0.361125D+00 -0.410832D+00 -0.814408D-01 -0.538625D+00 -0.316454D+00
      3  -0.114169D+01 -0.814408D-01 -0.196133D+00  0.769610D-01 -0.939012D+00
               141           142           143           144           145 
      1   0.769610D-01 -0.219818D+01 -0.334119D+00 -0.895974D+00 -0.559572D+01
      2  -0.939012D+00 -0.334119D+00 -0.155310D+01 -0.113859D+01  0.306602D+01
      3  -0.124602D+00 -0.895974D+00 -0.113859D+01 -0.773753D+01 -0.515167D+00
               146           147           148           149           150 
      1   0.306602D+01 -0.515167D+00  0.214008D+01 -0.171404D+01  0.148946D+00
      2  -0.345606D+01  0.631711D-01 -0.171404D+01  0.251456D+01 -0.241838D+00
      3   0.631711D-01 -0.103944D+01  0.148946D+00 -0.241838D+00  0.688656D+00
               151           152           153           154           155 
      1  -0.118163D+01  0.599044D+00 -0.754837D+00 -0.633480D+01 -0.197962D+01
      2   0.599044D+00 -0.938433D+00  0.702501D+00 -0.197962D+01 -0.197019D+01
      3  -0.754837D+00  0.702501D+00 -0.134376D+00  0.881810D-02  0.469400D-01
               156           157           158           159           160 
      1   0.881810D-02 -0.431431D+01 -0.186532D+01 -0.154860D+00  0.792445D+00
      2   0.469400D-01 -0.186532D+01 -0.238301D+01  0.211115D+00  0.171196D+00
      3  -0.101020D+01 -0.154860D+00  0.211115D+00 -0.601948D+00 -0.908062D+00
               161           162           163           164           165 
      1   0.171196D+00 -0.908062D+00 -0.526205D+00  0.633323D+00  0.206654D+00
      2   0.378831D+00 -0.248273D+00  0.633323D+00 -0.101137D+01 -0.327267D-01
      3  -0.248273D+00 -0.782155D-01  0.206654D+00 -0.327267D-01  0.684965D-01
               166           167           168           169           170 
      1   0.205541D+01  0.496547D+00 -0.107504D+00  0.500421D+00 -0.132766D-01
      2   0.496547D+00  0.805329D+01  0.492314D+00 -0.132766D-01  0.121528D+01
      3  -0.107504D+00  0.492314D+00  0.111263D+01  0.185312D+00  0.932541D+00
               171           172           173           174           175 
      1   0.185312D+00  0.845417D+01  0.715065D+00 -0.148093D+01 -0.121427D+00
      2   0.932541D+00  0.715065D+00  0.104011D+01  0.157089D+00  0.250526D+01
      3   0.136774D+00 -0.148093D+01  0.157089D+00  0.289871D+00  0.199331D+00
               176           177           178           179           180 
      1   0.250526D+01  0.199331D+00 -0.279971D+01 -0.176872D+00  0.176964D+01
      2  -0.439600D+01 -0.565716D+00 -0.176872D+00 -0.675275D+00  0.803224D-01
      3  -0.565716D+00 -0.850844D+00  0.176964D+01  0.803224D-01 -0.703242D+00
               181           182           183           184           185 
      1   0.726285D+00 -0.108119D+01 -0.523518D+00 -0.226049D+01  0.219371D+01
      2  -0.108119D+01  0.590756D+00  0.875566D-01  0.219371D+01 -0.899192D+01
      3  -0.523518D+00  0.875566D-01  0.249961D+00  0.746006D-01 -0.691966D+00
               186           187           188           189           190 
      1   0.746006D-01 -0.113287D+01  0.375456D+00  0.428556D+00  0.791330D-01
      2  -0.691966D+00  0.375456D+00 -0.149686D+01 -0.118635D+01  0.276403D+00
      3  -0.104583D+01  0.428556D+00 -0.118635D+01  0.731675D-01  0.109477D+01
               191           192           193           194           195 
      1   0.276403D+00  0.109477D+01  0.820586D+00  0.220310D+00  0.503487D-02
      2   0.247366D-01  0.415992D-01  0.220310D+00 -0.694695D+00  0.905860D+00
      3   0.415992D-01 -0.923106D-01  0.503487D-02  0.905860D+00  0.424076D+00
               196           197           198           199           200 
      1   0.216885D+01 -0.254378D+00  0.948922D+00 -0.505282D+00 -0.251705D+00
      2  -0.254378D+00  0.142865D+01 -0.104097D+01 -0.251705D+00  0.696875D-01
      3   0.948922D+00 -0.104097D+01  0.846324D+01  0.430346D+00 -0.146705D+00
               201           202           203           204           205 
      1   0.430346D+00 -0.347817D+00 -0.286667D+00  0.181098D+00  0.187928D+01
      2  -0.146705D+00 -0.286667D+00 -0.144523D+01  0.890017D+00  0.932816D+00
      3   0.322879D+00  0.181098D+00  0.890017D+00 -0.114132D+01 -0.108239D+01
               206           207           208           209           210 
      1   0.932816D+00 -0.108239D+01  0.148632D+00  0.127349D+01  0.141328D+00
      2   0.274277D+01 -0.247303D+01  0.127349D+01 -0.520926D+00 -0.101223D+00
      3  -0.247303D+01  0.593317D+01  0.141328D+00 -0.101223D+00  0.412549D+00
               211           212           213           214           215 
      1   0.326419D+01 -0.499315D+00 -0.319149D+00  0.312970D+00 -0.160903D+00
      2  -0.499315D+00  0.563271D+01 -0.579464D-01 -0.160903D+00  0.307286D+00
      3  -0.319149D+00 -0.579464D-01  0.976941D+00  0.484014D+00  0.351490D+00
               216 
      1   0.484014D+00
      2   0.351490D+00
      3  -0.292987D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101712D+01  0.250936D-01 -0.437893D+00 -0.121227D+01  0.204127D+01
      2   0.808123D+00  0.754182D-01  0.144937D+01  0.496954D+00  0.150298D+01
      3  -0.112634D+01 -0.365099D-01 -0.780257D+00  0.538396D+01 -0.718281D+00
                 6             7             8             9            10 
      1   0.608742D+00  0.545368D+00  0.394423D+01 -0.752357D+01 -0.644489D+00
      2   0.295732D+00 -0.271055D+01 -0.652877D-01 -0.478900D+01 -0.227172D+01
      3  -0.261094D+00 -0.417780D+00 -0.122651D+01 -0.929548D+00 -0.227353D+01
                11            12            13            14            15 
      1  -0.157230D+01 -0.680651D+00 -0.268059D+00 -0.152574D+01 -0.183160D+01
      2  -0.258819D+00  0.242620D+00  0.461331D+00 -0.127743D+01 -0.146058D+01
      3  -0.479848D+01 -0.141983D+00  0.914511D+00  0.224416D+01  0.214012D+01
                16            17            18            19            20 
      1  -0.100308D+01  0.208594D+01 -0.590157D+00 -0.164407D+01 -0.508132D-01
      2  -0.365682D+01 -0.899431D+00  0.110024D+02 -0.637821D-01  0.961052D+00
      3  -0.724732D+00  0.143438D+01  0.883001D+00  0.204744D+01 -0.380351D+01
                21            22            23            24            25 
      1   0.624473D+00 -0.896186D+00 -0.128828D+01 -0.862599D+00  0.395258D+00
      2   0.244563D+00  0.569381D+00  0.824307D+00 -0.210071D+00 -0.413120D+01
      3   0.254300D+00  0.251132D+01 -0.366173D+01 -0.127643D+01  0.151645D+01
                26            27            28            29            30 
      1   0.211480D+01  0.488737D+01 -0.142080D+01  0.374562D+00  0.107151D+01
      2   0.336516D+00 -0.413880D+01 -0.163681D+01  0.968962D+00 -0.186366D+01
      3  -0.849252D+00 -0.384038D+00 -0.514477D+01 -0.765313D+01  0.364498D+00
                31            32            33            34            35 
      1  -0.697991D+00  0.124387D+00 -0.475526D+00 -0.334170D+00  0.336009D+01
      2  -0.456170D+00 -0.932595D+00 -0.251505D+01 -0.518278D+01  0.786733D+00
      3  -0.382207D+01  0.504056D+01  0.181408D+01  0.966301D+00  0.855148D+00
                36            37            38            39            40 
      1   0.371332D+01  0.184610D+01 -0.296392D-01 -0.106018D+01  0.413995D+00
      2   0.125673D+02  0.380474D+00  0.437148D-01  0.945003D+01 -0.267733D+00
      3   0.404044D+00 -0.411652D+01 -0.141558D+01 -0.136015D+01  0.171486D+02
                41            42            43            44            45 
      1   0.814536D+00 -0.432596D+01  0.170392D+01  0.196136D+01  0.320599D+00
      2  -0.979767D-01  0.560751D+00 -0.634764D+01 -0.137803D+01  0.101362D+01
      3   0.205905D+01 -0.197724D-01 -0.459087D+01 -0.664786D+00 -0.234702D+00
                46            47            48            49            50 
      1  -0.354660D+00 -0.735419D-01 -0.415571D+00 -0.106551D+01  0.849027D-01
      2   0.126546D+01  0.398040D+00 -0.358695D+01 -0.107509D-01  0.199665D+01
      3   0.706631D+01  0.320092D+01  0.622622D+00 -0.169253D+00 -0.184284D+01
                51            52            53            54            55 
      1  -0.851652D+00 -0.159573D+01  0.317987D+01  0.827904D+01 -0.391106D+01
      2   0.256472D+01 -0.392858D+01 -0.952977D+00 -0.128308D+02 -0.332338D+01
      3  -0.166148D+01  0.181949D+01 -0.176590D+01 -0.398221D+00  0.147572D+02
                56            57            58            59            60 
      1   0.151631D+01 -0.138027D+01  0.198379D+01 -0.352112D+01 -0.580968D+01
      2   0.240031D+01  0.108482D+01  0.569444D+00 -0.202878D+01 -0.470655D+00
      3  -0.491865D+01  0.264708D+01  0.400154D+01  0.839534D+01  0.213952D+00
                61            62            63            64            65 
      1  -0.108470D+01  0.973336D+00 -0.313282D+01  0.114403D+01 -0.328338D-01
      2  -0.429851D+01 -0.132414D+00 -0.115442D+01  0.997103D+00 -0.463937D+00
      3   0.570999D+01  0.143540D+01  0.168301D+01  0.428058D+00 -0.151414D+01
                66            67            68            69            70 
      1  -0.408714D+00  0.218828D-01  0.135929D+01 -0.467242D+00 -0.221137D+00
      2   0.881697D+00 -0.263099D+00  0.483556D+00  0.703136D-02 -0.380205D+01
      3  -0.101049D+01  0.547287D+00  0.176064D+00 -0.658869D+00 -0.239256D+01
                71            72            73            74            75 
      1   0.344522D+01  0.873000D+01 -0.898079D+00  0.950036D-01  0.133635D+01
      2  -0.383583D+00  0.494045D+01  0.495303D+01  0.120842D+01  0.439755D+01
      3  -0.113490D+01  0.770526D+00  0.101689D+02 -0.313340D+00 -0.321323D+00
                76            77            78            79            80 
      1  -0.179812D+01 -0.573279D+00 -0.238319D+01  0.149878D+01  0.307548D+01
      2   0.102356D+01  0.269832D+01 -0.348186D+01 -0.107849D+01 -0.178076D+01
      3   0.725077D+01  0.156009D+02 -0.203026D+01 -0.399551D+00 -0.487490D+01
                81            82            83            84            85 
      1   0.447029D+00  0.708856D-01  0.228824D+00 -0.243424D-01  0.573892D+00
      2   0.281089D+01 -0.196892D+01 -0.897791D-01  0.608069D+00  0.649105D-01
      3   0.957149D+00  0.609600D+00 -0.398961D+00  0.100644D+00  0.150759D+01
                86            87            88            89            90 
      1  -0.413917D+00 -0.140699D+01  0.329573D+00  0.394376D+01 -0.113088D+01
      2  -0.176933D+01  0.918216D+00 -0.313409D+01  0.274821D+00 -0.121675D+02
      3  -0.529662D+00  0.132421D+01  0.271725D+00  0.295955D+01 -0.515489D-01
                91            92            93            94            95 
      1  -0.924608D+00  0.201560D+00  0.496024D+00  0.154076D+00 -0.126520D+01
      2   0.136368D+01  0.283436D+00  0.244974D+00  0.584369D+00  0.300204D+00
      3  -0.321204D+00 -0.940568D+00  0.740600D+00  0.994922D+00  0.281135D+00
                96            97            98            99           100 
      1  -0.530657D+00 -0.401924D+00  0.398151D+01 -0.598315D+01  0.208524D+01
      2  -0.619273D+00 -0.437351D+01  0.325131D+00  0.459818D+01 -0.160144D+01
      3  -0.418845D+00  0.135282D+01 -0.114265D+01 -0.260797D-01  0.983013D+01
               101           102           103           104           105 
      1  -0.234072D+00 -0.204623D+01  0.753381D+00  0.425313D+01 -0.230406D+01
      2  -0.736151D+00  0.491597D+01  0.275007D+00 -0.181943D+01  0.104886D+01
      3  -0.110310D+02 -0.140868D+01 -0.182392D+01  0.134712D+02  0.239550D+01
               106           107           108           109           110 
      1  -0.160136D+01  0.358502D+01  0.172601D+01  0.149812D+01 -0.893207D-01
      2  -0.128088D+01  0.707042D+00 -0.131659D+01  0.299954D+01 -0.323398D+00
      3  -0.389378D+01  0.403239D+01  0.861495D+00  0.363011D+01  0.313234D+01
               111           112           113           114           115 
      1   0.171915D+01 -0.140579D+01  0.674818D+01 -0.121018D+01 -0.120079D+01
      2   0.919523D+00  0.424186D+00  0.307377D+01 -0.215480D+01 -0.482429D+01
      3  -0.127796D+01  0.114209D+02 -0.128349D+02 -0.316080D+01 -0.314445D+01
               116           117           118           119           120 
      1   0.264479D+01 -0.122137D+02 -0.444659D+00  0.127663D+00  0.564037D+00
      2   0.182929D+01 -0.160747D+02 -0.921957D+00 -0.327689D+00  0.159121D+01
      3  -0.370008D+01 -0.152740D+01  0.492679D+00 -0.103441D+00  0.855017D+00
               121           122           123           124           125 
      1  -0.729359D-01 -0.103140D+01 -0.607099D+00  0.357179D+00  0.346083D+01
      2  -0.263637D-01 -0.120853D+01  0.198301D-01 -0.373966D+01 -0.492358D+00
      3   0.192244D+01 -0.100122D+01  0.132993D+01  0.199924D+01  0.230602D+01
               126           127           128           129           130 
      1  -0.382857D+01 -0.833101D-02 -0.439482D+00 -0.179710D+01  0.410314D+00
      2  -0.100584D+02 -0.337418D+00 -0.145507D+01  0.570046D+01  0.468965D+00
      3  -0.267527D+00  0.565056D+01 -0.564301D+01  0.771324D+00  0.592264D+01
               131           132           133           134           135 
      1  -0.120426D+00 -0.309378D+01  0.165497D+01  0.494290D+01 -0.135108D+02
      2   0.780007D+00 -0.836805D+00 -0.122545D+01 -0.315758D+01  0.114700D+02
      3  -0.553822D+01 -0.646482D+00  0.274741D+00 -0.111673D+01  0.252440D+01
               136           137           138           139           140 
      1  -0.136844D+01  0.730781D-01 -0.371641D+00  0.638963D+00 -0.123233D+01
      2   0.190533D+01 -0.260809D-01  0.785890D+00  0.135133D+00  0.101221D+01
      3  -0.636839D+00 -0.124264D+01  0.171761D+01  0.668797D+00  0.914437D+00
               141           142           143           144           145 
      1  -0.598154D+00 -0.615680D+00  0.292225D+01 -0.874524D+01  0.304610D+01
      2  -0.953015D-01 -0.341655D+01  0.120912D+01  0.112492D+02  0.304326D+01
      3  -0.138363D+01  0.319163D+01 -0.186235D+01  0.605984D+00 -0.149237D+02
               146           147           148           149           150 
      1  -0.132807D+01  0.338578D+01 -0.106448D+01  0.121368D+01 -0.175917D+01
      2  -0.168229D+01  0.255550D+01 -0.117814D+01  0.100162D+01 -0.132985D+01
      3   0.276122D+01 -0.188877D+01  0.452108D+01 -0.228151D+01  0.192885D+00
               151           152           153           154           155 
      1   0.220214D+01 -0.100325D+01  0.604498D+00  0.129671D+01  0.782468D+00
      2   0.773253D+00 -0.124581D+01  0.579470D+00 -0.239347D+01 -0.126600D+01
      3  -0.371117D+01  0.430008D+00 -0.113301D+01 -0.972646D+01 -0.890915D+01
               156           157           158           159           160 
      1  -0.367688D+00  0.110162D+01  0.854315D+00 -0.374866D+00 -0.281429D+00
      2   0.367250D+01 -0.158905D+01 -0.165700D+01  0.267070D+01  0.186526D+01
      3   0.183161D+00 -0.754041D+01 -0.122414D+02  0.905572D+00  0.844008D+00
               161           162           163           164           165 
      1   0.844250D+00  0.335894D+00 -0.478949D+00  0.478392D+00  0.247948D+00
      2   0.997443D+00  0.301645D-01  0.456994D+00 -0.155268D+00 -0.246768D+00
      3   0.215286D+01 -0.816297D+00 -0.463200D+01  0.413272D+01  0.832945D+00
               166           167           168           169           170 
      1   0.431997D+00 -0.280071D+01 -0.346502D+01 -0.285621D+00 -0.144792D+01
      2  -0.372034D+00  0.749392D+00  0.160613D+01 -0.875353D+00  0.133137D+01
      3   0.636549D+01 -0.170584D+02 -0.166132D+01  0.190272D+01 -0.312921D+01
               171           172           173           174           175 
      1  -0.519670D+00 -0.103806D+01 -0.839574D+00 -0.142074D+01  0.880198D+00
      2   0.916246D-01 -0.397961D+01 -0.884071D+00  0.755247D+01  0.443619D+00
      3  -0.115485D+01 -0.863365D+01 -0.126986D+02  0.157564D+01 -0.775558D+01
               176           177           178           179           180 
      1   0.170596D+01 -0.325430D+01  0.211546D+01  0.385703D+01  0.191557D+00
      2  -0.145837D+01 -0.141854D+01  0.197344D+01  0.334732D-01 -0.376537D+01
      3   0.194822D+02  0.106315D+01  0.195919D+01  0.386253D+01 -0.194028D+01
               181           182           183           184           185 
      1  -0.138994D+01  0.510306D+00  0.669496D+00  0.810815D+00 -0.473938D+01
      2  -0.134983D+01  0.529100D+00  0.136242D+01  0.450352D+00 -0.185607D+01
      3   0.195411D+01 -0.844666D+00  0.623732D+00  0.842785D+00  0.194926D+02
               186           187           188           189           190 
      1  -0.441995D+01  0.860423D+00 -0.156553D+01 -0.406257D+00  0.191205D+01
      2  -0.283623D+01  0.418678D+00 -0.282008D+01  0.996244D-01  0.338219D+01
      3   0.175993D+01  0.169834D+01  0.306285D+01  0.230460D+01 -0.189871D+00
               191           192           193           194           195 
      1  -0.695361D-01 -0.182710D-01 -0.147166D+00  0.111871D+01  0.587933D+00
      2  -0.119981D+00 -0.373044D-01 -0.757806D+00  0.240563D+01  0.956326D+00
      3  -0.129157D+01 -0.147592D+01 -0.982206D+00  0.117501D+01 -0.199097D+01
               196           197           198           199           200 
      1   0.742664D+00  0.271619D+01  0.120951D+02  0.101304D+01 -0.163043D-01
      2  -0.255809D+01 -0.219179D+01  0.203250D+02 -0.200188D+01 -0.229912D-01
      3  -0.240568D+01 -0.334959D+01  0.197454D+01 -0.315395D+00  0.165728D+00
               201           202           203           204           205 
      1   0.964165D+00  0.452554D+00  0.236278D+01 -0.300476D+01 -0.269322D+01
      2  -0.747809D+00 -0.633168D+00 -0.216192D+01  0.274298D+01  0.936405D-01
      3  -0.119404D+01  0.486617D+00 -0.191288D+01  0.148068D+01 -0.273206D+01
               206           207           208           209           210 
      1  -0.401850D+01  0.154510D+02 -0.403241D+00  0.362231D+00 -0.649645D+00
      2   0.562206D+01 -0.133948D+02  0.146345D+00  0.131806D+00  0.526098D+00
      3   0.367681D+01 -0.303594D+01 -0.512058D+01  0.428108D+01  0.381424D+00
               211           212           213           214           215 
      1   0.149715D+00 -0.335808D+01  0.136511D+00 -0.561117D+00  0.879332D+00
      2  -0.412898D+00 -0.561228D+00  0.403774D+01  0.341185D-01  0.152037D+01
      3   0.508833D+01 -0.281848D+02  0.401974D+00  0.905973D+00 -0.139108D+01
               216 
      1  -0.756838D-02
      2  -0.939773D+00
      3  -0.106932D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.367629D+00 -0.718696D+01  0.996628D-01 -0.483671D+01  0.942676D+01
      2   0.279463D+01  0.944980D+01 -0.604540D+00  0.621213D+01 -0.194683D+02
      3  -0.316226D+01 -0.226284D+01  0.504877D+00 -0.137541D+01  0.100415D+02
      4  -0.431290D+01 -0.876287D+00 -0.691888D+00 -0.779882D+01  0.836995D+01
      5   0.125376D+01 -0.905962D+00  0.152108D+00 -0.249013D+01  0.155478D+01
      6   0.432412D+00  0.121766D+01  0.951334D+00  0.218986D+01 -0.590034D+01
                 6             7             8             9            10 
      1   0.214405D+01  0.114459D+01  0.397586D+01  0.754236D+01 -0.170795D+02
      2  -0.143328D+01  0.228125D+00 -0.966327D+01  0.382955D+01  0.774879D+01
      3  -0.710765D+00 -0.137272D+01  0.568741D+01 -0.113719D+02  0.933074D+01
      4   0.204529D+01 -0.224568D+01  0.329817D+01 -0.222277D-01  0.907848D+01
      5   0.823113D+00  0.136370D+01  0.104271D+01 -0.103830D+02 -0.646671D+01
      6  -0.656782D+01 -0.301074D+00 -0.203499D+01  0.193661D+02  0.380988D+00
                11            12            13            14            15 
      1   0.451353D+01 -0.153585D+01  0.994284D+01  0.716489D+01  0.116175D+01
      2  -0.136160D+01  0.325820D+01 -0.627446D+01 -0.304028D+01 -0.173143D+01
      3  -0.315193D+01 -0.172235D+01 -0.366838D+01 -0.412462D+01  0.569681D+00
      4  -0.289814D+01  0.929131D+00  0.556133D+01 -0.536951D+01 -0.199895D+01
      5   0.851980D+00 -0.369150D+01  0.274182D+01 -0.795449D+00 -0.269085D+01
      6  -0.180089D+01  0.193592D+01 -0.110168D+01  0.282845D+00  0.900398D+00
                16            17            18            19            20 
      1  -0.998019D+01  0.184965D+01  0.538543D+01 -0.512164D+01  0.101392D+01
      2   0.330965D+01 -0.179437D+01  0.678188D+01 -0.521165D+00 -0.607391D+01
      3   0.667054D+01 -0.552711D-01 -0.121673D+02  0.564280D+01  0.505999D+01
      4   0.500175D+01 -0.327486D+01 -0.224428D+01 -0.503946D+01 -0.872559D+01
      5  -0.157828D+01 -0.199427D+01  0.283820D+02  0.280972D+01  0.123294D+01
      6   0.236528D+00  0.142337D+00  0.919213D+00  0.679415D-02  0.138140D+01
                21            22            23            24            25 
      1  -0.526261D+00 -0.632413D+01 -0.423795D+01 -0.167485D+01  0.265971D+01
      2  -0.174689D+01  0.724761D+00  0.311918D+01  0.229015D+00  0.421478D+00
      3   0.227315D+01  0.559936D+01  0.111877D+01  0.144584D+01 -0.308119D+01
      4   0.679379D+00 -0.935287D+01 -0.198173D+01  0.107878D+00  0.383062D+01
      5  -0.313422D+01  0.164579D+01  0.464647D+00 -0.983517D+00  0.270142D+00
      6  -0.171608D+01  0.864896D-01  0.260360D+01 -0.947461D+00 -0.721760D-01
                26            27            28            29            30 
      1  -0.496171D-01  0.524862D+01 -0.103266D+02  0.944464D+01 -0.411189D+01
      2   0.188727D+01  0.857444D+01  0.396824D+01 -0.741066D+01  0.779264D+00
      3  -0.183765D+01 -0.138231D+02  0.635836D+01 -0.203398D+01  0.333262D+01
      4   0.358418D+01  0.115241D+01 -0.153572D+00 -0.725745D+01  0.258590D+01
      5   0.566558D+00 -0.100514D+02 -0.426913D+01  0.128463D+01 -0.723060D+01
      6   0.255332D+01 -0.117206D+02  0.381493D+01 -0.614465D+00  0.320251D+00
                31            32            33            34            35 
      1   0.643018D+01  0.372176D+01 -0.297267D+01 -0.261057D+01  0.203612D+00
      2  -0.430092D+01 -0.373241D+01  0.901324D-01 -0.813962D+00  0.128538D+01
      3  -0.212925D+01  0.106499D-01  0.288253D+01  0.342454D+01 -0.148900D+01
      4  -0.632894D+01 -0.127432D+02 -0.140948D+01  0.206690D+01 -0.173137D+01
      5   0.229322D+00 -0.803380D+00 -0.398565D+01 -0.258130D+01  0.349457D+00
      6  -0.529797D+00  0.169446D+01 -0.154091D+01  0.799770D+00 -0.353446D+00
                36            37            38            39            40 
      1   0.539295D+01  0.102957D+01 -0.215642D+01 -0.982001D+00  0.637322D+00
      2   0.576322D+01  0.113253D+01  0.202903D+01 -0.261491D+00  0.350327D+00
      3  -0.111562D+02 -0.216210D+01  0.127385D+00  0.124349D+01 -0.987650D+00
      4   0.574127D+00 -0.311410D+01  0.149037D+02 -0.182700D+01  0.130279D+02
      5   0.222625D+02  0.140471D+01 -0.267463D+00  0.159902D+02 -0.132538D+01
      6  -0.914435D+01 -0.193856D+01  0.164144D+01  0.196203D+01 -0.447131D+00
                41            42            43            44            45 
      1  -0.142682D+02  0.366668D+01  0.865316D+00  0.272239D+01 -0.585005D+01
      2   0.194479D+02 -0.138172D+01 -0.187909D+01 -0.344640D+01 -0.392648D+00
      3  -0.517971D+01 -0.228497D+01  0.101377D+01  0.724016D+00  0.624270D+01
      4   0.245741D+01 -0.407002D+00 -0.685112D+01 -0.341220D+00 -0.132764D+01
      5  -0.700085D+00  0.167650D+01  0.436989D+01 -0.345293D+00  0.172479D+01
      6  -0.361269D+01  0.508633D+01 -0.878418D+00  0.646704D+01  0.355271D+00
                46            47            48            49            50 
      1  -0.868257D+01  0.324238D+01  0.429499D+01 -0.793115D+01 -0.330036D+01
      2   0.422518D+01 -0.791977D+01 -0.145903D+01 -0.540976D-01 -0.412281D+01
      3   0.445738D+01  0.467738D+01 -0.283596D+01  0.798524D+01  0.742317D+01
      4   0.250874D+01 -0.181396D+02 -0.744053D+00 -0.172005D+02 -0.349666D+01
      5   0.926949D+00 -0.616524D+00 -0.870951D+01  0.171090D+01  0.946851D+00
      6  -0.115015D+00 -0.224546D+01 -0.191823D+01  0.663979D+00  0.171963D+01
                51            52            53            54            55 
      1  -0.105433D+01  0.422315D+01 -0.752361D+00  0.804990D+01 -0.400041D+01
      2  -0.537127D+00  0.807097D+00  0.598802D+01  0.765547D+01 -0.288175D+01
      3   0.159146D+01 -0.503025D+01 -0.523566D+01 -0.157054D+02  0.688216D+01
      4   0.177025D+01  0.277055D+01  0.243971D+01  0.158590D+01  0.210536D+02
      5   0.331495D+01 -0.189381D+01 -0.579754D-01 -0.240985D+02 -0.219102D+01
      6  -0.130971D+01  0.332265D+00 -0.229923D+00 -0.209070D+02  0.643106D+01
                56            57            58            59            60 
      1   0.920480D+00 -0.239252D+01  0.298560D+01 -0.301936D+02 -0.556799D+01
      2   0.427258D+01  0.566341D+00 -0.170113D+01  0.461657D+02  0.491677D+01
      3  -0.519306D+01  0.182618D+01 -0.128447D+01 -0.159720D+02  0.651215D+00
      4  -0.470280D+01  0.532194D+01  0.338235D+01 -0.134748D+02 -0.379209D+01
      5   0.100496D+01  0.356670D+01  0.146354D+01 -0.281804D+01 -0.152788D+01
      6  -0.176985D+01  0.172309D+01 -0.252926D+01  0.104168D+02  0.111518D+02
                61            62            63            64            65 
      1  -0.182931D+01 -0.899097D+01 -0.832628D+01  0.268881D-01  0.638172D+00
      2  -0.201012D+01  0.150882D+02  0.415118D+01 -0.310154D+01 -0.796463D+00
      3   0.383943D+01 -0.609724D+01  0.417510D+01  0.307465D+01  0.158292D+00
      4   0.103059D+02 -0.963916D+01 -0.174859D+01  0.905983D+00  0.202734D+01
      5   0.346070D+01 -0.344885D+01 -0.249370D+01  0.116681D+01 -0.914280D+00
      6  -0.793313D-01  0.135002D+02  0.666163D+01 -0.297381D+01 -0.479568D+00
                66            67            68            69            70 
      1   0.160496D+01  0.591768D+00 -0.409831D+01  0.267235D+01  0.193095D+01
      2  -0.590176D+00 -0.817272D+00  0.287021D+01 -0.341304D+01 -0.608705D+00
      3  -0.101479D+01  0.225504D+00  0.122810D+01  0.740696D+00 -0.132225D+01
      4  -0.247025D+01  0.200169D+01 -0.136721D+01  0.137187D+01 -0.339310D+01
      5   0.582608D+01 -0.492153D-01  0.119690D+01 -0.139004D+00  0.369913D+01
      6   0.817943D+00 -0.572102D-01 -0.360462D+01  0.613262D+01 -0.292932D+00
                71            72            73            74            75 
      1   0.472959D+01 -0.149419D+02  0.239820D+02 -0.199874D+02  0.477108D+01
      2  -0.454114D+01 -0.114516D+02 -0.132753D+02  0.101706D+02 -0.537978D+01
      3  -0.188442D+00  0.263935D+02 -0.107067D+02  0.981683D+01  0.608703D+00
      4   0.283420D+01 -0.517530D+00 -0.256313D+02  0.536576D+01 -0.647052D+00
      5  -0.112168D+01  0.981145D+01  0.906325D+01 -0.309188D+00  0.816075D+01
      6   0.606234D+01 -0.212554D+02 -0.238208D+01  0.775163D+00 -0.239666D+01
                76            77            78            79            80 
      1  -0.383817D+02 -0.615856D+01 -0.422884D+00  0.171197D+02  0.149468D+00
      2   0.216090D+02  0.761621D+01  0.972592D+00 -0.107260D+02 -0.867514D-02
      3   0.167728D+02 -0.145765D+01 -0.549708D+00 -0.639370D+01 -0.140793D+00
      4   0.523982D+01 -0.192233D+02  0.470141D+01 -0.322241D+01  0.692480D+01
      5  -0.280134D+01  0.503740D+01 -0.537909D+01  0.135467D+02 -0.409642D+01
      6   0.291083D+00 -0.184365D+01  0.499196D+01 -0.235929D+01  0.422778D+01
                81            82            83            84            85 
      1   0.353044D+01  0.276655D+01 -0.929916D+00 -0.438388D+01 -0.766870D+00
      2  -0.681948D+01 -0.413577D+01  0.383201D+00  0.269507D+01  0.342234D+00
      3   0.328905D+01  0.136922D+01  0.546715D+00  0.168882D+01  0.424636D+00
      4  -0.438430D+01 -0.105819D+01  0.991912D+00  0.237570D+00  0.119526D+01
      5   0.611391D+01 -0.446940D+01 -0.238541D+00  0.606685D+01 -0.474033D+00
      6  -0.117408D+01  0.228120D+00 -0.988245D-03  0.186857D+00 -0.106637D+01
                86            87            88            89            90 
      1  -0.360974D+01  0.335207D+00 -0.671887D+01  0.906036D-01 -0.125278D+02
      2   0.418602D+00  0.809923D+00  0.565242D+01  0.596562D+00 -0.145175D+02
      3   0.319114D+01 -0.114513D+01  0.106645D+01 -0.687166D+00  0.270453D+02
      4   0.159149D+01 -0.405520D+01  0.150190D+00 -0.491411D+01  0.104921D+01
      5  -0.416522D+01  0.198820D+01  0.701379D+01  0.136363D+01 -0.285924D+02
      6  -0.957865D-01  0.688636D+01 -0.105767D+00  0.421224D+01  0.124329D+01
                91            92            93            94            95 
      1   0.606542D-01 -0.360136D+00  0.199469D+01 -0.387271D+00 -0.190054D+01
      2  -0.254701D+01  0.663374D+00 -0.509174D+00  0.528017D+00 -0.960585D+00
      3   0.248636D+01 -0.303237D+00 -0.148552D+01 -0.140747D+00  0.286113D+01
      4  -0.182707D+00  0.218684D+01  0.147696D+01  0.269894D+01 -0.483239D-01
      5   0.165355D+01  0.144894D+00  0.511696D+01 -0.162822D+00  0.127931D+01
      6   0.168359D+01 -0.155505D+00 -0.622377D+00  0.233654D+00  0.136390D+01
                96            97            98            99           100 
      1  -0.496276D+00  0.217310D+01 -0.199274D+01 -0.150983D+02  0.233893D+02
      2   0.222605D+01 -0.164071D+01  0.292929D+01 -0.142171D+02 -0.925031D+01
      3  -0.172978D+01 -0.532393D+00 -0.936549D+00  0.293154D+02 -0.141390D+02
      4   0.153207D+01  0.247247D+01  0.265668D+01  0.305809D+00  0.200712D+02
      5  -0.759007D+00  0.462571D+01  0.308083D+00  0.107663D+02 -0.372522D+01
      6   0.560713D+01  0.546400D+00  0.418169D+01  0.124760D+02 -0.251346D+01
               101           102           103           104           105 
      1  -0.549576D+01 -0.206195D+01 -0.102553D+01  0.157632D+02  0.401780D+01
      2   0.134109D+02  0.299258D+01  0.596942D+01 -0.162074D+02 -0.400833D+01
      3  -0.791514D+01 -0.930621D+00 -0.494389D+01  0.444239D+00 -0.947580D-02
      4   0.220424D+02 -0.173473D+01  0.171000D+02 -0.594723D+00 -0.274296D+01
      5  -0.157622D+00  0.863490D+01 -0.386120D+00 -0.423841D+01  0.155889D+01
      6   0.551865D-01  0.343260D+01  0.925338D-01 -0.562614D+01  0.509591D+01
               106           107           108           109           110 
      1  -0.502350D+01  0.493149D+01  0.113781D+00 -0.940315D+01 -0.109716D+02
      2   0.186640D+01 -0.857438D+01 -0.313637D+01  0.767374D+01  0.515565D+01
      3   0.315710D+01  0.364290D+01  0.302259D+01  0.172941D+01  0.581591D+01
      4  -0.609218D+01 -0.762362D+01  0.405854D+01 -0.127555D+02  0.116069D+01
      5   0.812075D+01  0.245744D+01 -0.226575D+01  0.117502D+02 -0.202783D+01
      6   0.494300D+01  0.513124D+01 -0.326804D+01 -0.654640D+01  0.351837D+01
               111           112           113           114           115 
      1   0.391215D+01 -0.236579D+02  0.999935D+01  0.216658D+01  0.181120D+02
      2  -0.502337D+01  0.179609D+02 -0.260443D+02 -0.579907D+01 -0.801832D+01
      3   0.111122D+01  0.569700D+01  0.160449D+02  0.363249D+01 -0.100937D+02
      4  -0.471471D+01 -0.555036D+01  0.298693D+02  0.525740D+01 -0.180418D+01
      5  -0.173516D+01  0.147377D+01  0.537590D+01 -0.424871D+01 -0.210875D+01
      6  -0.330419D+01  0.437495D+00 -0.326627D+01  0.179931D+00  0.585189D+00
               116           117           118           119           120 
      1   0.167882D+01  0.124644D+02  0.239992D+01 -0.164223D+01 -0.195329D+01
      2  -0.461942D+01  0.688515D+01 -0.365786D+01  0.922633D+00  0.156829D+01
      3   0.294060D+01 -0.193495D+02  0.125794D+01  0.719596D+00  0.385000D+00
      4   0.714080D+01  0.361687D+01 -0.225292D+01  0.236199D+01  0.101099D+01
      5   0.324092D+01 -0.342215D+02 -0.287816D+01 -0.114892D+00  0.720563D+01
      6  -0.169862D+01  0.153533D+02  0.109856D+01  0.229986D-01 -0.657776D+00
               121           122           123           124           125 
      1  -0.128543D+01 -0.351046D+01 -0.676045D+00 -0.455590D+01 -0.115908D+01
      2   0.412453D+00  0.953584D+00  0.139380D+01  0.551286D+01  0.802385D+00
      3   0.872979D+00  0.255687D+01 -0.717758D+00 -0.956963D+00  0.356695D+00
      4   0.262541D+01  0.518495D+00 -0.187206D+01  0.287815D+01 -0.257683D+01
      5  -0.519633D-01 -0.268012D+01  0.595772D+00  0.637881D+01 -0.111031D+01
      6  -0.476781D+00  0.151030D+01  0.630397D+01 -0.114171D+01  0.471253D+01
               126           127           128           129           130 
      1  -0.149855D+02  0.174261D+02  0.190012D+01  0.472810D+00  0.578601D+01
      2  -0.126130D+02 -0.855998D+00  0.921915D+01  0.515284D+00  0.578379D+01
      3   0.275986D+02 -0.165701D+02 -0.111193D+02 -0.988093D+00 -0.115698D+02
      4  -0.117315D+01  0.237561D+02  0.268977D+02 -0.320706D+00  0.262429D+02
      5  -0.193102D+02 -0.177489D+01 -0.670004D+00  0.802246D+01  0.256976D+00
      6   0.962215D+01 -0.182084D+00 -0.943426D+00  0.416156D+01  0.841959D+00
               131           132           133           134           135 
      1  -0.625498D+01 -0.129321D+01 -0.697366D+00 -0.411642D+01  0.588911D+01
      2   0.262686D+02  0.203484D+01  0.123116D+01  0.373252D+01 -0.261612D+01
      3  -0.200137D+02 -0.741626D+00 -0.533796D+00  0.383899D+00 -0.327299D+01
      4   0.289561D+02  0.183801D+01  0.380322D+01  0.603013D+01 -0.198369D+01
      5   0.148895D+01 -0.468695D+00  0.435162D+01 -0.275410D+01  0.193578D+02
      6   0.165530D+01  0.352386D+01  0.755399D+00 -0.104360D+01  0.236972D+02
               136           137           138           139           140 
      1   0.852914D-01  0.541682D+00  0.318024D+01 -0.259407D+00 -0.295963D+01
      2  -0.247669D+01  0.322803D-01 -0.142623D+01  0.106967D+01  0.120206D+01
      3   0.239139D+01 -0.573962D+00 -0.175402D+01 -0.810259D+00  0.175757D+01
      4   0.122304D+01  0.384367D+01  0.282148D+01  0.379454D+01  0.148349D+01
      5   0.357993D+01  0.659062D+00  0.680082D+01 -0.252642D+00  0.242958D+01
      6   0.325179D+01 -0.128532D+00  0.550133D+00  0.106143D+00  0.333543D+01
               141           142           143           144           145 
      1  -0.180221D+01  0.276953D+01 -0.393143D+01 -0.160121D+02  0.105782D+02
      2   0.320775D+01 -0.311345D+01  0.248777D+01 -0.126178D+02  0.525382D+01
      3  -0.140554D+01  0.343923D+00  0.144366D+01  0.286299D+02 -0.158320D+02
      4   0.201840D+01  0.531069D+01  0.517756D+01  0.279051D+01 -0.316526D+02
      5  -0.393186D+00  0.719275D+01  0.318081D+01  0.213389D+02  0.468841D-01
      6   0.645245D+01  0.262774D+01  0.740167D+01  0.215323D+02 -0.318201D+01
               146           147           148           149           150 
      1   0.179468D-01  0.181606D+01 -0.865026D+00 -0.237482D+01  0.175754D+00
      2  -0.123475D+02  0.360376D+00 -0.639762D+01  0.112425D+02 -0.135142D+01
      3   0.123295D+02 -0.217644D+01  0.726265D+01 -0.886770D+01  0.117566D+01
      4   0.224538D+02 -0.292925D+01  0.146738D+02 -0.129864D+02  0.150596D+01
      5   0.261494D+00  0.303302D+01  0.189442D+00  0.436129D+00 -0.191750D+01
      6   0.667287D+00 -0.523279D+01  0.994833D+00 -0.109152D+01  0.307515D+01
               151           152           153           154           155 
      1   0.161122D+01  0.101415D+01 -0.245172D+00  0.440698D+02  0.145221D+02
      2   0.130694D+01 -0.369919D+01  0.817738D+00 -0.240558D+02 -0.825279D+01
      3  -0.291816D+01  0.268504D+01 -0.572566D+00 -0.200139D+02 -0.626927D+01
      4  -0.659282D+01  0.462911D+01 -0.468419D+01  0.117560D+02  0.118060D+02
      5   0.383920D+01 -0.236867D+01  0.958830D+00  0.601746D+00 -0.215738D-02
      6  -0.435574D+01  0.457730D+01 -0.928375D+00  0.112903D+01  0.102920D+01
               156           157           158           159           160 
      1  -0.907595D+00  0.292292D+02  0.121283D+02  0.154035D+00 -0.550209D+01
      2  -0.497355D-01 -0.164656D+02 -0.550349D+01 -0.530004D+00  0.309160D+01
      3   0.957331D+00 -0.127636D+02 -0.662485D+01  0.375969D+00  0.241048D+01
      4  -0.282410D+00  0.129431D+02  0.135855D+02 -0.108795D+01 -0.111936D+01
      5   0.616707D+01  0.106698D+01 -0.111098D+01  0.400016D+01  0.725662D+01
      6   0.351744D-01  0.117694D+01  0.924873D+00  0.232420D+00  0.626180D+00
               161           162           163           164           165 
      1  -0.145417D+01  0.424292D+01 -0.142504D+01  0.544935D+01  0.651014D+00
      2   0.678865D+00 -0.376566D+01  0.271029D+01 -0.640985D+01 -0.671580D+00
      3   0.775302D+00 -0.477258D+00 -0.128525D+01  0.960497D+00  0.205661D-01
      4  -0.207826D+01  0.190989D+01 -0.809888D+00  0.503671D+00  0.512250D+00
      5   0.220127D+01  0.284144D+00  0.450786D+00 -0.251990D+00 -0.179047D+00
      6   0.123522D+01 -0.405321D+00  0.103059D+01 -0.355486D+00 -0.423954D-01
               166           167           168           169           170 
      1   0.450493D+01 -0.249558D+02 -0.176202D+01  0.113766D+01 -0.410199D+01
      2  -0.829261D+00  0.414460D+02  0.303965D+01 -0.694728D+00  0.584541D+01
      3  -0.367566D+01 -0.164902D+02 -0.127763D+01 -0.442929D+00 -0.174343D+01
      4   0.680106D+01  0.222845D+02  0.137881D+01  0.124108D+01  0.349021D+01
      5  -0.221704D+00  0.239883D+01  0.305585D+01  0.123961D+01  0.256619D+01
      6  -0.139692D+00  0.319602D+01  0.503902D+01  0.628173D+00  0.640026D+01
               171           172           173           174           175 
      1  -0.354852D+01  0.710424D+02  0.267747D+01 -0.650209D+01  0.206382D+01
      2   0.345246D+01 -0.410852D+02 -0.957244D+00  0.679336D+01 -0.277856D+01
      3   0.960630D-01 -0.299572D+02 -0.172023D+01 -0.291263D+00  0.714740D+00
      4   0.239706D+01 -0.423031D+01  0.137531D+02  0.217533D+01  0.188323D+02
      5   0.196009D+00 -0.119479D+02  0.855943D+00  0.137093D+02  0.417556D+00
      6   0.128076D+01  0.311252D+01 -0.168095D+01  0.938442D+00 -0.110781D+01
               176           177           178           179           180 
      1   0.111688D+02  0.207098D+01 -0.194560D+02 -0.635512D+00  0.814967D+01
      2  -0.195768D+01  0.778095D+00  0.120380D+02 -0.115384D+00 -0.111566D+02
      3  -0.921113D+01 -0.284907D+01  0.741805D+01  0.750896D+00  0.300695D+01
      4  -0.262681D+02 -0.386148D+01  0.106030D+01 -0.520677D+01 -0.139282D+01
      5  -0.421432D+01 -0.262959D+01  0.192472D+02  0.572947D+00 -0.790490D+01
      6   0.145847D+01  0.647029D+01 -0.240716D+01  0.358166D+01  0.130433D+00
               181           182           183           184           185 
      1   0.320345D+01 -0.590301D+01 -0.267727D+01 -0.575342D+01 -0.173151D+02
      2   0.264745D+01  0.121126D+01  0.867998D+00 -0.368564D+01  0.412111D+02
      3  -0.585090D+01  0.469176D+01  0.180927D+01  0.943905D+01 -0.238960D+02
      4  -0.825677D+01  0.100047D+02  0.148586D+01  0.179998D+02 -0.458165D+02
      5  -0.249749D+01  0.418343D+00  0.232144D+01  0.207794D+00 -0.280440D+01
      6   0.158168D+01 -0.450361D+00 -0.803433D+00  0.234243D+00  0.155750D+01
               186           187           188           189           190 
      1  -0.143080D+01 -0.467144D+01 -0.265980D+01 -0.327136D+01  0.115630D+01
      2   0.363307D+01  0.120501D+01  0.595699D+01  0.292406D+01 -0.398068D+01
      3  -0.220227D+01  0.346643D+01 -0.329719D+01  0.347294D+00  0.282438D+01
      4  -0.321187D+01  0.410969D+01 -0.756851D+01 -0.606228D+01  0.761317D+00
      5  -0.562389D+01  0.332214D+01 -0.612530D+01  0.496679D+00  0.624173D+01
      6   0.637111D+01 -0.185149D+01  0.715611D+01  0.175749D+01 -0.199309D+01
               191           192           193           194           195 
      1   0.123589D+01  0.726176D+01  0.484586D+01 -0.375145D+01  0.898969D+00
      2  -0.108412D+01 -0.367157D+01 -0.365367D+01  0.275416D+01 -0.254878D+01
      3  -0.151776D+00 -0.359019D+01 -0.119219D+01  0.997285D+00  0.164981D+01
      4   0.138181D+01 -0.206814D+01  0.129929D+01 -0.379335D+01  0.424605D+01
      5  -0.564473D+00  0.554063D+01  0.133360D+00  0.457619D+01  0.219515D+01
      6  -0.587947D+00  0.450971D+00  0.500924D+00 -0.165423D+01  0.412629D+01
               196           197           198           199           200 
      1   0.942145D+01  0.315080D+01 -0.174304D+02  0.152762D+01  0.259934D+01
      2  -0.710193D+01 -0.203969D+01 -0.132705D+02 -0.120420D+01 -0.154414D+01
      3  -0.231952D+01 -0.111111D+01  0.307009D+02 -0.323420D+00 -0.105520D+01
      4  -0.440145D+01  0.654723D+01 -0.566712D+01  0.231703D+01  0.161718D+01
      5   0.987379D+01 -0.559348D+01  0.425958D+02 -0.196064D+01 -0.550711D+00
      6  -0.252117D+01  0.751051D+01 -0.189844D+02 -0.218734D+01  0.982983D+00
               201           202           203           204           205 
      1  -0.352351D+01  0.660119D+00 -0.494427D+01  0.272807D+01 -0.397482D+01
      2   0.167158D+01  0.798907D+00  0.721748D+01 -0.447451D+01  0.121387D+01
      3   0.185192D+01 -0.145903D+01 -0.227321D+01  0.174644D+01  0.276095D+01
      4  -0.203019D+01  0.275451D+01  0.500151D+01 -0.341955D+01 -0.874164D+01
      5   0.587036D+00 -0.880904D+00 -0.317705D+01  0.430021D+01  0.591846D+01
      6  -0.198046D+01 -0.121149D+01 -0.555437D+01  0.724063D+01  0.498524D+01
               206           207           208           209           210 
      1   0.696418D+01 -0.104237D+02  0.655914D+00  0.731468D+01  0.110228D+01
      2  -0.817854D+01  0.211345D+01  0.101038D+01 -0.346158D+01 -0.476572D+00
      3   0.121436D+01  0.831026D+01 -0.166629D+01 -0.385310D+01 -0.625705D+00
      4  -0.110641D+02  0.959245D+01  0.706733D+01 -0.948579D+00 -0.397563D+00
      5   0.950874D+01 -0.231385D+02  0.933239D+00 -0.743763D+00  0.118022D+01
      6   0.140218D+02 -0.282707D+02 -0.168209D+00 -0.782645D-01  0.120807D+01
               211           212           213           214           215 
      1   0.230978D+02 -0.204194D+01 -0.195814D+01  0.204990D+01 -0.535750D+00
      2  -0.134050D+02  0.210920D+01  0.171543D+01 -0.107938D+01  0.482592D+00
      3  -0.969274D+01 -0.672620D-01  0.242704D+00 -0.970528D+00  0.531575D-01
      4  -0.114606D+01  0.340948D+02 -0.212125D+00 -0.537565D+00  0.126604D+01
      5  -0.244100D+01  0.321992D+00  0.723776D+01  0.386785D+01  0.270631D+01
      6   0.519783D+00 -0.109066D+01 -0.109963D+01  0.349085D+00  0.203923D+01
               216 
      1   0.105021D+01
      2  -0.197559D+01
      3   0.925382D+00
      4   0.217504D+01
      5  -0.212677D+01
      6   0.419679D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x         -0.113523D+01     -0.288546D+01     -0.962485D+01
   y          0.398650D+00      0.101327D+01      0.337990D+01
   z          0.537424D+00      0.136600D+01      0.455647D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.105979D+03      0.157044D+02      0.174735D+02
   yx         0.114144D+01      0.169144D+00      0.188198D+00
   yy         0.945386D+02      0.140092D+02      0.155873D+02
   zx        -0.254045D+00     -0.376456D-01     -0.418864D-01
   zy        -0.148329D+01     -0.219801D+00     -0.244561D+00
   zz         0.780443D+02      0.115650D+02      0.128678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.979842D+02      0.145198D+02      0.161554D+02
   aniso      0.241109D+02      0.357287D+01      0.397535D+01
   xx         0.110796D+03      0.164183D+02      0.182679D+02
   yx         0.104871D+01      0.155403D+00      0.172909D+00
   yy         0.997539D+02      0.147820D+02      0.164472D+02
   zx        -0.297314D+00     -0.440573D-01     -0.490204D-01
   zy        -0.162117D+01     -0.240232D+00     -0.267294D+00
   zz         0.834021D+02      0.123589D+02      0.137511D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.46931091          2.02747399          1.58195940
     6         -1.10579135         -0.40903642          2.94755119
     6          1.40243364          1.49971992         -0.52409182
     6          0.38182666         -0.55958918         -2.27834944
     8         -0.14788523         -2.77139472         -0.82398702
     6         -2.00752676         -2.39563240          1.05196742
     8          0.64666279          3.85330801          3.20653699
     1         -2.20909908          2.79314114          0.75012765
     8         -2.99412884          0.14617922          4.76506721
     1          0.61021455         -1.13229358          3.86791735
     1          3.16961158          0.81670938          0.32022244
     8          1.87591637          3.71579653         -1.97213244
     6          2.25393390         -1.31475292         -4.33387510
     1         -1.35359492          0.12154548         -3.18874467
     8         -2.49853466         -4.70414972          2.23212530
     1         -3.80018472         -1.79511092          0.20201081
     1         -0.50218887          4.15209055          4.58974911
     1         -3.55491245         -1.42930919          5.49312600
     1          2.27338563          5.05958025         -0.80386280
     8          2.50367489          0.56289923         -6.21628078
     1          1.55472097         -3.01685517         -5.25979082
     1          4.07806013         -1.77192234         -3.45511516
     1         -0.89240978         -5.46431830          2.65743091
     1          2.80733791          2.15654477         -5.37469792

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.131776D+01      0.334940D+01      0.111724D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.131776D+01      0.334940D+01      0.111724D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.928538D+02      0.137595D+02      0.153095D+02
   aniso      0.245424D+02      0.363681D+01      0.404650D+01
   xx         0.843748D+02      0.125031D+02      0.139115D+02
   yx         0.472793D+01      0.700607D+00      0.779531D+00
   yy         0.946838D+02      0.140307D+02      0.156112D+02
   zx        -0.108329D+02     -0.160527D+01     -0.178610D+01
   zy        -0.116012D+01     -0.171912D+00     -0.191278D+00
   zz         0.995029D+02      0.147448D+02      0.164058D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.979842D+02      0.145198D+02      0.161554D+02
   aniso      0.241109D+02      0.357287D+01      0.397535D+01
   xx         0.895115D+02      0.132642D+02      0.147585D+02
   yx         0.450780D+01      0.667987D+00      0.743236D+00
   yy         0.999493D+02      0.148110D+02      0.164794D+02
   zx        -0.106420D+02     -0.157698D+01     -0.175463D+01
   zy        -0.109932D+01     -0.162903D+00     -0.181254D+00
   zz         0.104492D+03      0.154841D+02      0.172284D+02

 ----------------------------------------------------------------------
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 Until you make peace with who you are,
 you'll never be content with what you have.
                           -- Doris Mortman
 Job cpu time:       0 days  7 hours 45 minutes 19.4 seconds.
 Elapsed time:       0 days  0 hours 58 minutes 16.6 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:45:26 2021.
